Geometry & MOs

Info

ID:	336509
PubChem CID:	127255516
Reduced:	ClN2O2C7H17 (1)
Stoich.:	AB2C2D7E17 (1)
Weight, g/mol:	162.019605
ΔH_f, kcal/mol:	-147.28
Dipole, Da:	4.66
IP(EA), eV:	-9.71(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-pyrazol-4-yl)acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCCN)N.Cl

DOS

IR

Vibrations