Geometry & MOs

Info

ID:	361376
PubChem CID:	127303242
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	91.21
Dipole, Da:	3.83
IP(EA), eV:	-9.3(-0.88)
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-phenylcyclobutyl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)N3CCN4C(=NN=C4C5CC5)C3)C

DOS

IR

Vibrations