Geometry & MOs

Info

ID:	31653
PubChem CID:	855983
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	-3.78
Dipole, Da:	3.61
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations