Geometry & MOs

Info

ID:	388071
PubChem CID:	134988051
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	-118.46
Dipole, Da:	3.34
IP(EA), eV:	-9.56(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethyl)-5-phenyl-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC(CO)(C(=O)N(C)CC1=CC=CC=C1)O

DOS

IR

Vibrations