Geometry & MOs

Info

ID:	404181
PubChem CID:	135065365
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	276.102941
ΔH_f, kcal/mol:	-44.15
Dipole, Da:	0.65
IP(EA), eV:	-8.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C(C)CC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations