Geometry & MOs

Info

ID:	11537
PubChem CID:	117371
Reduced:	ClNOC10H14 (2)
Stoich.:	ABCD10E14 (2)
Weight, g/mol:	398.152783
ΔH_f, kcal/mol:	-116.16
Dipole, Da:	2.58
IP(EA), eV:	-8.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)ethanamine;dihydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNCC2CCC3=CC=CC=C3N2)OC.Cl.Cl

DOS

IR

Vibrations