Geometry & MOs

Info

ID:

175933

PubChem CID:

75969409

Reduced:

N5O8C45H57 (1)

Stoich.:

A5B8C45D57 (1)

Weight, g/mol:

398.115424

ΔHf, kcal/mol:

-212.61

Dipole, Da:

7.06

IP(EA), eV:

 -8.0(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-hydroxy-4-methyl-10-[3-(4-methylphenyl)-3-oxoprop-1-enyl]-2-oxobenzo[h]chromene-8-carbaldehyde

Drug info:

PubChemData

Smile

CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)N)O

DOS

IR

Vibrations