Geometry & MOs

Info

ID:	245822
PubChem CID:	103024100
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	282.097998
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	4.04
IP(EA), eV:	-9.31(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCCC(CC(=O)CCC1=CN(N=C1)C)N

DOS

IR

Vibrations