Geometry & MOs

Info

ID:	388903
PubChem CID:	134990558
Reduced:	FNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	497.223846
ΔH_f, kcal/mol:	-63.15
Dipole, Da:	3.21
IP(EA), eV:	-9.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCC1C2=NOC3=C2C=CC(=C3)F

DOS

IR

Vibrations