Geometry & MOs

Info

ID:	251687
PubChem CID:	103106011
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	5.35
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CN2C(=C(N=N2)C(=O)OC)CC

DOS

IR

Vibrations