Geometry & MOs

Info

ID:	432018
PubChem CID:	135172150
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	682.287924
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	3.82
IP(EA), eV:	-9.66(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-3-methylphenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CC2(C1)CCC2

DOS

IR

Vibrations