Geometry & MOs

Info

ID:	178946
PubChem CID:	76405053
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	335.119129
ΔH_f, kcal/mol:	-17.51
Dipole, Da:	3.76
IP(EA), eV:	-8.65(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethoxyfuran-2-yl)-[3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)C2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations