Geometry & MOs

Info

ID:	168623
PubChem CID:	74996446
Reduced:	ClNO3C9H16 (1)
Stoich.:	ABC3D9E16 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-180.03
Dipole, Da:	2.02
IP(EA), eV:	-10.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8aH-naphthalen-1-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)C[NH3+])C(=O)O.[Cl-]

DOS

IR

Vibrations