Geometry & MOs

Info

ID:

217914

PubChem CID:

85088573

Reduced:

N3O3H21C25 (1)

Stoich.:

A3B3C21D25 (1)

Weight, g/mol:

410.184172

ΔHf, kcal/mol:

12.13

Dipole, Da:

4.11

IP(EA), eV:

 -8.54(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 7-[7-(hydroxymethyl)-4-methoxycarbonyl-2-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyridin-1-yl]-2-methylcyclopenta[c]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NNC(=O)C2=C(C3=CC=CC=C3C(=N2)OC)C4=CC=CC=C4

DOS

IR

Vibrations