Geometry & MOs

Info

ID:	209877
PubChem CID:	80733909
Reduced:	NS2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	295.196986
ΔH_f, kcal/mol:	-132.39
Dipole, Da:	7.07
IP(EA), eV:	-9.05(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3-ethylcyclohexyl)oxymethyl]-5-methylthiophen-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC2=C(S1)C=CS2)(C(=O)O)O

DOS

IR

Vibrations