Geometry & MOs

Info

ID:	357632
PubChem CID:	127294305
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-75.38
Dipole, Da:	5.09
IP(EA), eV:	-8.62(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CC(C3=CC=CS3)NC(=O)N

DOS

IR

Vibrations