Geometry & MOs

Info

ID:	272712
PubChem CID:	103752630
Reduced:	BrN2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	4.56
IP(EA), eV:	-10.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(3-methylphenyl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCNC(=O)C1=C(N=CC=C1)Br

DOS

IR

Vibrations