Geometry & MOs

Info

ID:	198672
PubChem CID:	79135044
Reduced:	NOSC15H25 (1)
Stoich.:	ABCD15E25 (1)
Weight, g/mol:	281.181336
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	1.78
IP(EA), eV:	-9.04(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-thiophen-2-ylethanol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(CN)C(C)(C2=CC=CS2)O)C

DOS

IR

Vibrations