Geometry & MOs

Info

ID:	293535
PubChem CID:	117392564
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	4.1
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-2,4-dimethoxyphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1CCNC)Cl)OCCO2

DOS

IR

Vibrations