Geometry & MOs

Info

ID:

302934

PubChem CID:

124403708

Reduced:

N3O5C31H33 (1)

Stoich.:

A3B5C31D33 (1)

Weight, g/mol:

430.200491

ΔHf, kcal/mol:

-79.14

Dipole, Da:

6.93

IP(EA), eV:

 -8.51(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-1-[(3aS,4R,9bR)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylideneamino]-2-cyanoacetamide

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)COC1=CC=CC=C1OC)/C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@H]3C=CC4)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations