Geometry & MOs

Info

ID:	176957
PubChem CID:	76117045
Reduced:	OC15H24 (2)
Stoich.:	AB15C24 (2)
Weight, g/mol:	199.041548
ΔH_f, kcal/mol:	-146.8
Dipole, Da:	1.4
IP(EA), eV:	-8.41(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-3-sulfanylidene-1,2,4-triazine-5,6-dione

Drug info:

PubChemData

Smile

CCOC1(CCC2(C3CCC4(C(C3=CC=C2C1)CCC4C(C)C=CC(C)C(C)C)C)C)O

DOS

IR

Vibrations