Geometry & MOs

Info

ID:	16297
PubChem CID:	463773
Reduced:	NO6C26H27 (1)
Stoich.:	AB6C26D27 (1)
Weight, g/mol:	449.183838
ΔH_f, kcal/mol:	-178.14
Dipole, Da:	5.5
IP(EA), eV:	-8.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[naphthalen-1-yl-(3,4,5-trimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4C(CCC4=O)C(=O)OC

DOS

IR

Vibrations