Geometry & MOs

Info

ID:	25161
PubChem CID:	620365
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	254.996617
ΔH_f, kcal/mol:	-152.7
Dipole, Da:	2.57
IP(EA), eV:	-8.89(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CC=C)(CC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)O

DOS

IR

Vibrations