Geometry & MOs

Info

ID:	365586
PubChem CID:	127318095
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	328.120526
ΔH_f, kcal/mol:	-116.56
Dipole, Da:	5.58
IP(EA), eV:	-9.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-N-[2-(2-oxopyridin-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)NCCN2C=CC=CC2=O

DOS

IR

Vibrations