Geometry & MOs

Info

ID:	423587
PubChem CID:	135119783
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	348.098918
ΔH_f, kcal/mol:	-114.55
Dipole, Da:	4.16
IP(EA), eV:	-9.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC/C=C/CC(=O)N[C@@H]1CCN(C[C@H]1O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations