Geometry & MOs

Info

ID:	353698
PubChem CID:	127285275
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	4.77
IP(EA), eV:	-9.36(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NCC2(CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations