Geometry & MOs

Info

ID:	161129
PubChem CID:	57390844
Reduced:	O3N5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	728.11244
ΔH_f, kcal/mol:	-49.63
Dipole, Da:	9.12
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

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;diiodide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations