Geometry & MOs

Info

ID:	284831
PubChem CID:	104074435
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	-209.51
Dipole, Da:	2.19
IP(EA), eV:	-10.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=C(C=C1)OC(F)(F)F)C#N

DOS

IR

Vibrations