Geometry & MOs

Info

ID:	27531
PubChem CID:	821857
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	42.19
Dipole, Da:	8.72
IP(EA), eV:	-8.36(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy(methoxy)methylidene]-1H-isothiochromen-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=NN3C=CC=NC3=N2

DOS

IR

Vibrations