Geometry & MOs

Info

ID:	270879
PubChem CID:	103638517
Reduced:	N2O2F3C8H11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	193.09636
ΔH_f, kcal/mol:	-226.14
Dipole, Da:	3.29
IP(EA), eV:	-10.57(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropyl)-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC(C#N)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations