Geometry & MOs

Info

ID:	374894
PubChem CID:	131349690
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	197.062283
ΔH_f, kcal/mol:	-50.37
Dipole, Da:	7.05
IP(EA), eV:	-9.35(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3,4-dimethyl-1,3-dihydrothieno[2,3-b]pyrazin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C(=C1)C)C#N)O

DOS

IR

Vibrations