Geometry & MOs

Info

ID:	281021
PubChem CID:	103852434
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	0.99
IP(EA), eV:	-8.88(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC2=C([C@H]1N)C=CC(=C2)OCCO

DOS

IR

Vibrations