Geometry & MOs

Info

ID:	354866
PubChem CID:	127287626
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-95.19
Dipole, Da:	4.75
IP(EA), eV:	-8.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylamino]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C(C)(C)NCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

DOS

IR

Vibrations