Geometry & MOs

Info

ID:	336475
PubChem CID:	127255482
Reduced:	ClO2N3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	224.024022
ΔH_f, kcal/mol:	-9.63
Dipole, Da:	4.62
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-oxo-1,2-dihydroindene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN2C(N1)C=CC(=N2)Cl

DOS

IR

Vibrations