Geometry & MOs

Info

ID:	216203
PubChem CID:	85085885
Reduced:	SN3O3C9H11 (1)
Stoich.:	AB3C3D9E11 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-35.47
Dipole, Da:	5.63
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-oxocyclohexylidene)indol-2-one

Drug info:

PubChemData

Smile

CC(=CC1=CSC(=N1)N)C(=NOC)C(=O)O

DOS

IR

Vibrations