Geometry & MOs

Info

ID:	288679
PubChem CID:	104323383
Reduced:	ClNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	2.24
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC3CC4=C(O3)C=CC(=C4)Cl)O

DOS

IR

Vibrations