Geometry & MOs

Info

ID:	336749
PubChem CID:	127255756
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	5.08
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1CCC2=O)N

DOS

IR

Vibrations