Geometry & MOs

Info

ID:	6456
PubChem CID:	68657
Reduced:	ClNO3C17H26 (1)
Stoich.:	ABC3D17E26 (1)
Weight, g/mol:	327.160121
ΔH_f, kcal/mol:	-174.23
Dipole, Da:	3.19
IP(EA), eV:	-9.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl

DOS

IR

Vibrations