Geometry & MOs

Info

ID:	361395
PubChem CID:	127303261
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	323.149458
ΔH_f, kcal/mol:	19.21
Dipole, Da:	8.24
IP(EA), eV:	-9.61(-0.79)
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)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)C4=CC5=C(COC5)C=C4

DOS

IR

Vibrations