Geometry & MOs

Info

ID:

325414

PubChem CID:

126683163

Reduced:

NOH36C41 (2)

Stoich.:

ABC36D41 (2)

Weight, g/mol:

616.19732

ΔHf, kcal/mol:

130.83

Dipole, Da:

2.56

IP(EA), eV:

 -7.38(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC=CC=C5C)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8C1CCCCC1)N(C1=C(C=C(C=C1)C)C)C1=CC=CC2=C1OC1=C2C=CC=C1C1=CC=CC=C1C)C(=C6)C1CCCCC1)C

DOS

IR

Vibrations