Geometry & MOs

Info

ID:	412928
PubChem CID:	135085865
Reduced:	NNaO2C6H8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	304.02113
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	7.1
IP(EA), eV:	-9.27(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1R,6S)-6-cyanocyclohex-2-en-1-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C)(C#N)C(=O)[O-].[Na+]

DOS

IR

Vibrations