Geometry & MOs

Info

ID:	281061
PubChem CID:	103852670
Reduced:	BrINOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	304.02113
ΔH_f, kcal/mol:	14.14
Dipole, Da:	3.36
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2I)Br

DOS

IR

Vibrations