Geometry & MOs

Info

ID:	361400
PubChem CID:	127303266
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	354.18559
ΔH_f, kcal/mol:	32.31
Dipole, Da:	3.47
IP(EA), eV:	-9.46(-1.53)
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)-[1-(2-fluorophenyl)cyclopentyl]methanone

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C(C2=O)C(=O)N3CCN4C(=NN=C4C5CC5)C3)C=C1

DOS

IR

Vibrations