Geometry & MOs

Info

ID:	293539
PubChem CID:	117392680
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	3.87
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CC2CCCN2)Cl)O)OC

DOS

IR

Vibrations