Geometry & MOs

Info

ID:

163032

PubChem CID:

57581428

Reduced:

NO3C18H19 (2)

Stoich.:

AB3C18D19 (2)

Weight, g/mol:

494.184172

ΔHf, kcal/mol:

-177.07

Dipole, Da:

4.45

IP(EA), eV:

 -8.81(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4E)-4-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-6-phenyl-1H-pyridin-2-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=NC3=C(C=CC(=C3)/C=C/C(=O)OC(C)(C)C)C(=C2)C4=CC=CC=C4)OCC

DOS

IR

Vibrations