Geometry & MOs

Info

ID:	29689
PubChem CID:	836466
Reduced:	ClNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	291.00072
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	4.42
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-methylpyridin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC(=C(C=C2)C)Cl

DOS

IR

Vibrations