Geometry & MOs

Info

ID:	339244
PubChem CID:	127260623
Reduced:	O3C26H26 (1)
Stoich.:	A3B26C26 (1)
Weight, g/mol:	508.251464
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.54
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(E)-3-(N-phenylanilino)prop-2-enylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

C=CCC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)CC=C)/CCC2)O

DOS

IR

Vibrations