Geometry & MOs

Info

ID:

442997

PubChem CID:

135257348

Reduced:

N5H43C44 (1)

Stoich.:

A5B43C44 (1)

Weight, g/mol:

1004.491694

ΔHf, kcal/mol:

157.64

Dipole, Da:

3.63

IP(EA), eV:

 -7.81(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-benzoyl-4a-[(9S)-3-bicyclo[7.1.0]decanyl]-2,8-bis[4-(N-phenylanilino)phenyl]-2,3,4,9b-tetrahydro-1H-dibenzofuran-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CN1C(CCC2C1C=NCC2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C6=C(C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9C5=NCCC9

DOS

IR

Vibrations