Geometry & MOs

Info

ID:	355544
PubChem CID:	127288614
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	3.98
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN4C=NN=C4C3)O)C

DOS

IR

Vibrations