Geometry & MOs

Info

ID:	289864
PubChem CID:	104380018
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	214.088832
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	3.03
IP(EA), eV:	-8.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1OC)NCC(=O)NCC(C)C

DOS

IR

Vibrations