Geometry & MOs

Info

ID:	264198
PubChem CID:	103440171
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	216.066555
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	2.93
IP(EA), eV:	-9.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-4-(1,3-dimethylpyrazol-4-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(CCC(=O)O)Cl

DOS

IR

Vibrations