Geometry & MOs

Info

ID:	146974
PubChem CID:	53776857
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	0.69
IP(EA), eV:	-9.19(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CS[C@@H]2N1C(=O)C2N)CC3=CN=CC=C3

DOS

IR

Vibrations