Geometry & MOs

Info

ID:	347020
PubChem CID:	127271524
Reduced:	FN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	316.13176
ΔH_f, kcal/mol:	-181.32
Dipole, Da:	3.08
IP(EA), eV:	-8.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylsulfonylpiperidin-3-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(C)NC(=O)NCC2=CC(=CC3=C2OCOC3)F)C

DOS

IR

Vibrations