Geometry & MOs

Info

ID:

80213

PubChem CID:

49833601

Reduced:

ClON8H25C31 (1)

Stoich.:

ABC8D25E31 (1)

Weight, g/mol:

509.182982

ΔHf, kcal/mol:

118.43

Dipole, Da:

2.45

IP(EA), eV:

 -8.48(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1S,4S)-5-[5-[4-[(5-chloropyridin-2-yl)methoxy]-2-oxopyridin-1-yl]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC3=NC=CC(=N3)C4=C(NN=C4)C5=CC6=C(C=C5)N=C(N6)CC7=CC=CC=C7Cl

DOS

IR

Vibrations