Geometry & MOs

Info

ID:	361373
PubChem CID:	127303239
Reduced:	ON6C16H16 (1)
Stoich.:	AB6C16D16 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	94.3
Dipole, Da:	4.67
IP(EA), eV:	-9.43(-1.08)
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-methylcyclopentyl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)C4=C5C=CC=CN5N=C4

DOS

IR

Vibrations