Geometry & MOs

Info

ID:	269920
PubChem CID:	103619698
Reduced:	NSO3C15H27 (1)
Stoich.:	ABC3D15E27 (1)
Weight, g/mol:	311.1919
ΔH_f, kcal/mol:	-137.8
Dipole, Da:	2.85
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethylthiophen-2-yl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC(COCCOC(C)C)O

DOS

IR

Vibrations