Geometry & MOs

Info

ID:	401587
PubChem CID:	135051746
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	295.02079
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	8.9
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-3-methoxyanilino)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1COC2=C(N1/N=C/CCCOCC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations