Geometry & MOs

Info

ID:	84862
PubChem CID:	49870362
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	651.28988
ΔH_f, kcal/mol:	113.56
Dipole, Da:	4.94
IP(EA), eV:	-8.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-5-[(Z)-oct-1-enyl]-1-octyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinolin-2-ium;bromide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(N1)C=C(C=C2)C3=CC=CC=C3)N4C=C(NN4)/C=C/C(=O)N=O

DOS

IR

Vibrations