Geometry & MOs

Info

ID:	398296
PubChem CID:	135032687
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	401.153955
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	4.56
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-fluorophenyl)triazol-2-yl]-1-(4-methoxyphenyl)-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(OC2=O)C3=CC=C(C=C3)OC)C=C1

DOS

IR

Vibrations