Geometry & MOs

Info

ID:	355897
PubChem CID:	127290749
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	4.05
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=C(C=C4CCCCC4=C3)O

DOS

IR

Vibrations