Geometry & MOs

Info

ID:	270869
PubChem CID:	103638475
Reduced:	FION2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	1.79
IP(EA), eV:	-9.93(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C(=O)C1=C(C=C(C=C1)F)I

DOS

IR

Vibrations