Geometry & MOs

Info

ID:	320202
PubChem CID:	126658688
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	3.82
IP(EA), eV:	-9.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidine

Drug info:

PubChemData

Smile

CC(C)CC1CCC2(CC1)CC3=C(C2)C=NC=C3

DOS

IR

Vibrations