Geometry & MOs

Info

ID:	361396
PubChem CID:	127303262
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	101.8
Dipole, Da:	4.67
IP(EA), eV:	-9.65(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations