Geometry & MOs

Info

ID:	139209
PubChem CID:	52492838
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	2.92
IP(EA), eV:	-9.2(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CN(CC1=CC=C(C=C1)C)[C@@H]2CCC3=CC=CC=C23

DOS

IR

Vibrations