Geometry & MOs

Info

ID:	1430
PubChem CID:	4411
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-190.71
Dipole, Da:	4.17
IP(EA), eV:	-9.04(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O

DOS

IR

Vibrations