Geometry & MOs

Info

ID:	415813
PubChem CID:	135088814
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	5.83
IP(EA), eV:	-8.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C=CC3=C2C=CC=N3)C)C(=O)O

DOS

IR

Vibrations