Geometry & MOs

Info

ID:	355359
PubChem CID:	127288355
Reduced:	OSN4C16H28 (1)
Stoich.:	ABC4D16E28 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	4.25
IP(EA), eV:	-8.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-ethylpiperidin-3-yl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)CSC2=NC=CN2C(C)(C)C

DOS

IR

Vibrations