Geometry & MOs

Info

ID:	54981
PubChem CID:	17389619
Reduced:	NO8C18H25 (1)
Stoich.:	AB8C18D25 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-316.02
Dipole, Da:	3.38
IP(EA), eV:	-8.22(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (3S)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]1CCNC1C2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

DOS

IR

Vibrations