Geometry & MOs

Info

ID:

328320

PubChem CID:

126700682

Reduced:

ON5H17C18 (1)

Stoich.:

AB5C17D18 (1)

Weight, g/mol:

418.186572

ΔHf, kcal/mol:

73.87

Dipole, Da:

4.67

IP(EA), eV:

 -8.05(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

CCNC1=CC2=C3C(=C1)OCCCN3C(=N2)C4=NC=C(C=C4)C#N

DOS

IR

Vibrations