Geometry & MOs

Info

ID:	251021
PubChem CID:	103100887
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-111.41
Dipole, Da:	3.09
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C=CC(=C1)OC)N

DOS

IR

Vibrations