Geometry & MOs

Info

ID:	367383
PubChem CID:	127324388
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-13.27
Dipole, Da:	5.4
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NCCN2C=CC=N2)C(=O)C3=CSC=C3

DOS

IR

Vibrations