Geometry & MOs

Info

ID:	446766
PubChem CID:	135277547
Reduced:	NOH29C42 (1)
Stoich.:	ABC29D42 (1)
Weight, g/mol:	657.303165
ΔH_f, kcal/mol:	149.84
Dipole, Da:	0.94
IP(EA), eV:	-8.09(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxycyclohexa-1,5-dien-1-yl)-2-phenylphenyl]phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC(=C3)C4=CC=CC=C4)C5=C(C=C6C7=CC=CC=C7OC6=C5)C8=CC=CC=C8

DOS

IR

Vibrations