Geometry & MOs

Info

ID:	288593
PubChem CID:	104321016
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	1.74
IP(EA), eV:	-9.24(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)CN1CC2CCC(C2C1)O

DOS

IR

Vibrations