Geometry & MOs

Info

ID:	361385
PubChem CID:	127303251
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	69.16
Dipole, Da:	7.69
IP(EA), eV:	-9.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)N4CCN5C(=NN=C5C6CC6)C4

DOS

IR

Vibrations