Geometry & MOs

Info

ID:	293541
PubChem CID:	117392686
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	2.36
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations