Geometry & MOs

Info

ID:	281091
PubChem CID:	103852920
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	281.04153
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	1.76
IP(EA), eV:	-9.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(1-cyclopropylethyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NC(=O)C1=CC=CC(=C1Br)C

DOS

IR

Vibrations