Geometry & MOs

Info

ID:	294144
PubChem CID:	117427770
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	4.78
IP(EA), eV:	-8.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C2CCCN2)OC)OC)Cl

DOS

IR

Vibrations