Geometry & MOs

Info

ID:	291727
PubChem CID:	113460608
Reduced:	OBr2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	8.53
Dipole, Da:	4.67
IP(EA), eV:	-9.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methyl-N-(2-pyridin-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(=O)NC2=NC=C(C(=C2)C)Br

DOS

IR

Vibrations