Geometry & MOs

Info

ID:	194115
PubChem CID:	78484615
Reduced:	ON2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	328.227654
ΔH_f, kcal/mol:	-20.97
Dipole, Da:	6.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977038
Charge, e:	1

Chem-info

IUPAC name:

6,7-dimethoxy-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations