Geometry & MOs

Info

ID:	285728
PubChem CID:	104122183
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	241.061804
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	3.19
IP(EA), eV:	-9.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C(=O)C2=CC(=NC(=C2)C)Cl

DOS

IR

Vibrations