Geometry & MOs

Info

ID:	190359
PubChem CID:	77991659
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	332.188863
ΔH_f, kcal/mol:	-12.6
Dipole, Da:	5.6
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[[4-(methylamino)phenyl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(C2=CC=CO2)C(CC3=CC=CC=C3Br)[N+](=O)[O-]

DOS

IR

Vibrations