Geometry & MOs

Info

ID:	294033
PubChem CID:	117422965
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	3.41
IP(EA), eV:	-8.97(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=C(C=C2)C3(CC3)O)Cl

DOS

IR

Vibrations