Geometry & MOs

Info

ID:	30395
PubChem CID:	841248
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	2.84
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](C)NC(=O)C2=CC(=CC=C2)OC)C

DOS

IR

Vibrations