Geometry & MOs

Info

ID:	209358
PubChem CID:	80658539
Reduced:	BrNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	221.04153
ΔH_f, kcal/mol:	-130.85
Dipole, Da:	1.89
IP(EA), eV:	-8.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CN(CCBr)C(=O)C1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations