Geometry & MOs

Info

ID:	386979
PubChem CID:	134983576
Reduced:	NC16H19 (1)
Stoich.:	AB16C19 (1)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	108.78
Dipole, Da:	3.26
IP(EA), eV:	-7.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC3=CC=CC=C2C3

DOS

IR

Vibrations