Geometry & MOs

Info

ID:	201003
PubChem CID:	79472454
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	198.111676
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	3.42
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1=NC(=NO1)CSCC(C)C

DOS

IR

Vibrations