Geometry & MOs

Info

ID:	296155
PubChem CID:	117558392
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	-119.62
Dipole, Da:	4.88
IP(EA), eV:	-9.6(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C=O)C(=O)C2=NC=C(C=C2)C(=O)O

DOS

IR

Vibrations