Geometry & MOs

Info

ID:	272740
PubChem CID:	103753902
Reduced:	BrON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	2.31
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(N=CC=C1)Br)N(C)C

DOS

IR

Vibrations