Geometry & MOs

Info

ID:	292932
PubChem CID:	117365452
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-59.28
Dipole, Da:	1.59
IP(EA), eV:	-7.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-methyl-2,3-dihydro-1H-inden-4-yl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=CC3=C(CC(O3)C)C(=C2O1)/C=C/CN

DOS

IR

Vibrations