Geometry & MOs

Info

ID:

47397

PubChem CID:

10532316

Reduced:

O3C45H64 (1)

Stoich.:

A3B45C64 (1)

Weight, g/mol:

656.187849

ΔHf, kcal/mol:

-149.04

Dipole, Da:

5.57

IP(EA), eV:

 -9.15(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dichlorocyclohexa-1,5-dien-1-yl)-4-spiro[1H-2-benzothiophene-3,4'-piperidin-1-ium]-1'-ylbutyl]-N-methylbenzamide;(E)-4-hydroxy-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(=O)C3=CC=CC=C3OCCCCCCCCCCCC

DOS

IR

Vibrations