Geometry & MOs

Info

ID:	293531
PubChem CID:	117392432
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	3.26
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-3,4-dimethoxyphenyl)-2-methylpyrrolidine

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1/C=C/CN)Cl)OC)OC

DOS

IR

Vibrations