Geometry & MOs

Info

ID:	339240
PubChem CID:	127260619
Reduced:	O7H30C36 (1)
Stoich.:	A7B30C36 (1)
Weight, g/mol:	608.282764
ΔH_f, kcal/mol:	-141.83
Dipole, Da:	4.2
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[[4-(N-phenylanilino)phenyl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)/CCC2)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations