Geometry & MOs

Info

ID:	52938
PubChem CID:	14709245
Reduced:	N2O2S2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	2.3
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[[4-(2-methylpropoxy)phenyl]methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)CC(=O)NNC(=S)S

DOS

IR

Vibrations