Geometry & MOs

Info

ID:	198671
PubChem CID:	79135043
Reduced:	NO2C14H27 (1)
Stoich.:	AB2C14D27 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	3.46
IP(EA), eV:	-9.46(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-thiophen-2-ylethanol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(CN)C2(CCOCC2)O)C

DOS

IR

Vibrations