Geometry & MOs

Info

ID:	146585
PubChem CID:	53708686
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-97.72
Dipole, Da:	5.28
IP(EA), eV:	-8.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(methylamino)chromen-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(N2)CSCC(=O)O)C(=C1)O

DOS

IR

Vibrations