Geometry & MOs

Info

ID:	54980
PubChem CID:	17389616
Reduced:	NH15C16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	383.158017
ΔH_f, kcal/mol:	49.22
Dipole, Da:	2.83
IP(EA), eV:	-8.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations