Geometry & MOs

Info

ID:

190482

PubChem CID:

78010572

Reduced:

N3O8C31H43 (1)

Stoich.:

A3B8C31D43 (1)

Weight, g/mol:

597.305015

ΔHf, kcal/mol:

-302.64

Dipole, Da:

4.18

IP(EA), eV:

 -8.73(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-aminobutyl(butyl)amino]-2-oxoethyl]-2-[2-(1,3-benzodioxol-4-yl)ethyl]-4-[7-(hydroxymethyl)-1,3-benzodioxol-5-yl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(CCCN)C(=O)CN1CC(C(C1CCOC2=CC=CC=C2CO)C(=O)O)C3=CC(=C4C(=C3)OCO4)CO

DOS

IR

Vibrations