Geometry & MOs

Info

ID:

161130

PubChem CID:

57390845

Reduced:

INC17H19 (2)

Stoich.:

ABC17D19 (2)

Weight, g/mol:

474.303499

ΔHf, kcal/mol:

79.59

Dipole, Da:

12.05

IP(EA), eV:

 -7.48(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-methyl-1-[[4-[(2-methyl-8-propan-2-ylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]-8-propan-2-ylisoquinolin-2-ium

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=C1C(=[N+](C=C2)C)CC3=CC=C(C=C3)CC4=[N+](C=CC5=C4C(=CC=C5)C(C)C)C.[I-].[I-]

DOS

IR

Vibrations