Geometry & MOs

Info

ID:	327509
PubChem CID:	126690181
Reduced:	INOC6H6 (1)
Stoich.:	ABCD6E6 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	7.78
Dipole, Da:	2.99
IP(EA), eV:	-9.41(-3.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-fluorophenyl)ethyl]-6-[1-(2-methyl-1,2,4-triazol-3-yl)ethenoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OI

DOS

IR

Vibrations