Geometry & MOs

Info

ID:	176988
PubChem CID:	76123326
Reduced:	O2N6H7C8 (1)
Stoich.:	A2B6C7D8 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	111.91
Dipole, Da:	6.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.414124
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-azidophenyl)methylidene]-4-(dimethylamino)-6-[(4-methylphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N=O)[N+](=O)NC(=N2)N

DOS

IR

Vibrations