Geometry & MOs

Info

ID:	171315
PubChem CID:	75357719
Reduced:	ClNC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	296.056385
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	1.68
IP(EA), eV:	-9.02(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-ethoxycarbonyl-3,4-dihydropyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC/C(=C/C1=CC=CC=C1)/C.Cl

DOS

IR

Vibrations