Geometry & MOs

Info

ID:	209363
PubChem CID:	80659742
Reduced:	BrNOSC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	308.05243
ΔH_f, kcal/mol:	-40.5
Dipole, Da:	4.54
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-butyl-3-cyanobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCCCC2CBr

DOS

IR

Vibrations