Geometry & MOs

Info

ID:	249513
PubChem CID:	103090155
Reduced:	BrNOSC12H18 (1)
Stoich.:	ABCDE12F18 (1)
Weight, g/mol:	177.118735
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	3.73
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-5-methylsulfanylpentan-1-ol

Drug info:

PubChemData

Smile

CSCCCC(CO)NC1=CC(=CC=C1)Br

DOS

IR

Vibrations