Geometry & MOs

Info

ID:	44269
PubChem CID:	10502320
Reduced:	BrNOC24H24 (1)
Stoich.:	ABCD24E24 (1)
Weight, g/mol:	421.10413
ΔH_f, kcal/mol:	35.96
Dipole, Da:	3.49
IP(EA), eV:	-9.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dibenzyl-6-methoxy-3,4-dihydroisoquinolin-2-ium;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)CBr)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations