Geometry & MOs

Info

ID:	207326
PubChem CID:	80378220
Reduced:	NF2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	313.120861
ΔH_f, kcal/mol:	-175.79
Dipole, Da:	2.8
IP(EA), eV:	-9.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CNC(=O)CC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations