Geometry & MOs

Info

ID:	249571
PubChem CID:	103090546
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	273.212636
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	2.66
IP(EA), eV:	-8.49(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CSCCCC(C1(CC2=CC=CC=C2OC1)CN)O

DOS

IR

Vibrations