Geometry & MOs

Info

ID:	176410
PubChem CID:	76045228
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	173.062283
ΔH_f, kcal/mol:	-2.09
Dipole, Da:	2.23
IP(EA), eV:	-8.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-ethyl-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C2CCNN2)C(=O)C(=C1)C

DOS

IR

Vibrations