Geometry & MOs

Info

ID:

80145

PubChem CID:

49833236

Reduced:

O2N8H32C35 (1)

Stoich.:

A2B8C32D35 (1)

Weight, g/mol:

423.146203

ΔHf, kcal/mol:

107.34

Dipole, Da:

9.59

IP(EA), eV:

 -8.13(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]pyridin-3-yl]-4-[(5-chloropyridin-2-yl)methoxy]pyridin-2-one

Drug info:

PubChemData

Smile

CN(CCO)C1=CC(=C(C=C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4)C5=CC6=C(C=C5)N=C(N6)CC7=CC=CC=C7)OC

DOS

IR

Vibrations