Geometry & MOs

Info

ID:

90008

PubChem CID:

49965794

Reduced:

N5O5C39H55 (1)

Stoich.:

A5B5C39D55 (1)

Weight, g/mol:

570.99292

ΔHf, kcal/mol:

-110.1

Dipole, Da:

5.66

IP(EA), eV:

 -8.21(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (8E)-2-amino-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-3-cyano-5,7-dihydro-4H-pyrano[3,2-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=C(C=C(C=C1)/C=C/2\CN(CC3=C2OC(=C(C3C4=CC(=C(C=C4)OCCN(CC)CC)OC)C#N)N)C(C)C)OC

DOS

IR

Vibrations