Geometry & MOs

Info

ID:	209948
PubChem CID:	80742657
Reduced:	O2S2N4C13H22 (1)
Stoich.:	A2B2C4D13E22 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-70.47
Dipole, Da:	8.64
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=N1)S(=O)(=O)NCC2(CCCS2)C

DOS

IR

Vibrations