Geometry & MOs

Info

ID:	270850
PubChem CID:	103638420
Reduced:	BrClN2O3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	300.96175
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	3.95
IP(EA), eV:	-9.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(cyanomethyl)-N-ethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC=C)C(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations