Geometry & MOs

Info

ID:

437598

PubChem CID:

135226645

Reduced:

NC62H63 (1)

Stoich.:

AB62C63 (1)

Weight, g/mol:

709.370851

ΔHf, kcal/mol:

343.7

Dipole, Da:

2.86

IP(EA), eV:

 -7.93(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z,4Z)-4-(9,9-dimethylfluoren-4-yl)-4-(3,3-dimethyl-2H-inden-1-ylidene)but-2-enyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CCC1(CC2=CC=CC=C2C(C=C1C=C)C/C(=C\C)/C/C=C\C(=C/C=C)\N(C3=CC=C(C=C3)C4=CC=CCC=C4)C5=C(C=C(C=C5)C/6=C=C/C=C\C/C=C6)C7/C=C\C/C=C\C=C7)C

DOS

IR

Vibrations