Geometry & MOs

Info

ID:	16298
PubChem CID:	463774
Reduced:	NO6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	435.168188
ΔH_f, kcal/mol:	-177.89
Dipole, Da:	3.59
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations