Geometry & MOs

Info

ID:	399406
PubChem CID:	135040139
Reduced:	N3O3C7H13 (1)
Stoich.:	A3B3C7D13 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	4.05
IP(EA), eV:	-9.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-N-methylanilino)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H](C[C@H](O1)OC)N=[N+]=[N-])O

DOS

IR

Vibrations