Geometry & MOs

Info

ID:	269918
PubChem CID:	103619696
Reduced:	NSO2C17H29 (1)
Stoich.:	ABC2D17E29 (1)
Weight, g/mol:	311.1919
ΔH_f, kcal/mol:	-102.16
Dipole, Da:	3.58
IP(EA), eV:	-9.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC(COC2CCC(CC2)C)O

DOS

IR

Vibrations