Geometry & MOs

Info

ID:	355674
PubChem CID:	127289639
Reduced:	O3N5C20H35 (1)
Stoich.:	A3B5C20D35 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	9.13
IP(EA), eV:	-8.77(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N(C)C2CCN(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations