Geometry & MOs

Info

ID:	172564
PubChem CID:	75524892
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	418.24811
ΔH_f, kcal/mol:	15.32
Dipole, Da:	5.33
IP(EA), eV:	-9.11(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NC3=CC=CC(=C3)CO)C#N

DOS

IR

Vibrations