Geometry & MOs

Info

ID:	288456
PubChem CID:	104316850
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	3.46
IP(EA), eV:	-8.21(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCCC(C)O)OC)N

DOS

IR

Vibrations