Geometry & MOs

Info

ID:	178209
PubChem CID:	76295035
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	431.224263
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	5.47
IP(EA), eV:	-8.27(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-5-oxopentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2C=CC(=CC2=NC1=O)C(=O)N3CCC(CC3)C4=CNC5=C4C=C(C=C5)OC

DOS

IR

Vibrations