Geometry & MOs

Info

ID:	217173
PubChem CID:	85087370
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	5.39
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-[2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC1=CN=CN1)NC(C2=CC=CC=C2)(C3=C(C=CC(=C3)O)O)O

DOS

IR

Vibrations