Geometry & MOs

Info

ID:	1176
PubChem CID:	3914
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	4.4
IP(EA), eV:	-8.97(-0.56)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations