Geometry & MOs

Info

ID:	410451
PubChem CID:	135083248
Reduced:	ClH7C9 (3)
Stoich.:	AB7C9 (3)
Weight, g/mol:	423.173548
ΔH_f, kcal/mol:	95.47
Dipole, Da:	3.45
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2,3-bis[1-(4-cyanophenyl)ethylidene]cyclopropylidene]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(=C1C(=C(C)C2=CC=C(C=C2)Cl)C1=C(C)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations