Geometry & MOs

Info

ID:

315466

PubChem CID:

126626885

Reduced:

NC152H189 (1)

Stoich.:

AB152C189 (1)

Weight, g/mol:

494.340947

ΔHf, kcal/mol:

101.14

Dipole, Da:

0.65

IP(EA), eV:

 -7.72(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(dipropylamino)piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C(CC)(CC)C(C)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C(C)CC)C6=CC=C(C=C6)C(C)(C)CC)C7=C2C=C(C=C7)C(CC)(CC)C(C)(C)C8=CC9=C(C=C8)C1=C(C9(CCCCCC2=CC3=C(CC3)C=C2)CCCCCC2=CC3=C(CC3)C=C2)C=C(C=C1)C(CC)C(C)(CC)C1=CC2=C(C=C1)C1=C(C2(CCCC=C)CCCC=C)C=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)CCCCCC

DOS

IR

Vibrations