Geometry & MOs

Info

ID:	245756
PubChem CID:	103023831
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	-32.68
Dipole, Da:	3.01
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations