Geometry & MOs

Info

ID:	355661
PubChem CID:	127289626
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-170.64
Dipole, Da:	6.71
IP(EA), eV:	-8.71(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3COCCO3

DOS

IR

Vibrations