Geometry & MOs

Info

ID:	430975
PubChem CID:	135171045
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	9.12
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2H-pyran-5-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(CNC4=O)C=C3

DOS

IR

Vibrations