Geometry & MOs

Info

ID:	84378
PubChem CID:	49866104
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	372.148535
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	3.37
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations