Geometry & MOs

Info

ID:	191940
PubChem CID:	78206103
Reduced:	SO2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	4.63
IP(EA), eV:	-9.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-6-methyl-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CC(C)CCSC1=NC2C(N1CC(=C)C)C(=O)NC(=O)N2C

DOS

IR

Vibrations