Geometry & MOs

Info

ID:	271589
PubChem CID:	103684898
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	275.134385
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	2.62
IP(EA), eV:	-8.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-(naphthalen-2-ylmethylamino)butan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2CCCCC2CO)Br

DOS

IR

Vibrations