Geometry & MOs

Info

ID:	166207
PubChem CID:	74650715
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	428.155849
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	4.94
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-oxo-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-1-enyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations