Geometry & MOs

Info

ID:

80270

PubChem CID:

49833793

Reduced:

ON7H27C30 (1)

Stoich.:

AB7C27D30 (1)

Weight, g/mol:

451.177503

ΔHf, kcal/mol:

131.97

Dipole, Da:

4.54

IP(EA), eV:

 -8.29(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5-chloropyridin-2-yl)methoxy]-1-[6-(1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazin-4-yl)pyridin-3-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C2=CC3=C(C=C2)N=C(N3)CC4=CC=CC=C4)C5=NC(=NC=C5)NC6=CC=CC=C6OC

DOS

IR

Vibrations