Geometry & MOs

Info

ID:	281092
PubChem CID:	103852921
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	328.02113
ΔH_f, kcal/mol:	-23.73
Dipole, Da:	4.02
IP(EA), eV:	-9.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[4-(cyanomethyl)phenyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C2CC2)Br

DOS

IR

Vibrations