Geometry & MOs

Info

ID:	245803
PubChem CID:	103024006
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	262.087291
ΔH_f, kcal/mol:	9.76
Dipole, Da:	5.59
IP(EA), eV:	-9.36(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)N)C(=O)CCC2=CC=NN2C

DOS

IR

Vibrations