Geometry & MOs

Info

ID:	309403
PubChem CID:	126546030
Reduced:	NO2C24H43 (1)
Stoich.:	AB2C24D43 (1)
Weight, g/mol:	804.350449
ΔH_f, kcal/mol:	-161.13
Dipole, Da:	3.46
IP(EA), eV:	-8.97(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohepta-1,3-dien-6-yn-1-yl-4,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

Drug info:

PubChemData

Smile

CCC(CC(C1CCCC1C)O)C2CC3COC2C(N3)CC4CCCCC4

DOS

IR

Vibrations