Geometry & MOs

Info

ID:	279460
PubChem CID:	103844007
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	209.12766
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	3.97
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)CNC2CC2

DOS

IR

Vibrations