Geometry & MOs

Info

ID:	207993
PubChem CID:	80477487
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	224.073182
ΔH_f, kcal/mol:	4.19
Dipole, Da:	5.12
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,3-thiazol-5-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)C2=CN=CS2)C

DOS

IR

Vibrations