Geometry & MOs

Info

ID:	357598
PubChem CID:	127294271
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	390.274324
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	3.06
IP(EA), eV:	-8.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CCNC(=O)C3=CC=CS3

DOS

IR

Vibrations