Geometry & MOs

Info

ID:	362378
PubChem CID:	127307471
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	4.98
IP(EA), eV:	-8.81(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCC(CC2)CNC(=O)NCC(=O)N3CCCC3)C

DOS

IR

Vibrations