Geometry & MOs

Info

ID:

319497

PubChem CID:

126656386

Reduced:

ON2H50C64 (1)

Stoich.:

AB2C50D64 (1)

Weight, g/mol:

816.407964

ΔHf, kcal/mol:

208.84

Dipole, Da:

2.49

IP(EA), eV:

 -7.82(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-[9-methyl-12-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]fluoren-2-amine

Drug info:

PubChemData

Smile

CC1C=C(C=CC1C2=CC=CC=C2)N3C4=CC=CC=C4C5=C(C=C6C7=C(CCC=C7)OC6=C53)C8=CC=C(C=C8)N(C9=CC1=C(C=C9)C2=CC=CC=C2C1(C)C)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations