Geometry & MOs

Info

ID:	187255
PubChem CID:	77551095
Reduced:	ClN2O4C29H35 (1)
Stoich.:	AB2C4D29E35 (1)
Weight, g/mol:	474.251858
ΔH_f, kcal/mol:	-171.18
Dipole, Da:	9.47
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[3-[(1-naphthalen-1-ylethylamino)methyl]-4-phenylpyrrolidine-1-carbonyl]oxypropanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NCC3CN(CC3C4=CC=CC=C4)C(=O)OCC(C)(C)C(=O)O.Cl

DOS

IR

Vibrations