Geometry & MOs

Info

ID:	362227
PubChem CID:	127307240
Reduced:	OCl2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	37.55
Dipole, Da:	9.62
IP(EA), eV:	-9.24(-0.74)
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)-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations