Geometry & MOs

Info

ID:	155443
PubChem CID:	56365488
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	490.192629
ΔH_f, kcal/mol:	-6.2
Dipole, Da:	4.06
IP(EA), eV:	-9.53(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations