Geometry & MOs

Info

ID:	62749
PubChem CID:	26736605
Reduced:	SF2N2O2H12C17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	362.198085
ΔH_f, kcal/mol:	-79.95
Dipole, Da:	5.26
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)F)F)OCC3=CSC=N3

DOS

IR

Vibrations