Geometry & MOs

Info

ID:

411855

PubChem CID:

135084700

Reduced:

ON2C13H16 (1)

Stoich.:

AB2C13D16 (1)

Weight, g/mol:

504.204907

ΔHf, kcal/mol:

-16.02

Dipole, Da:

3.36

IP(EA), eV:

-8.33(-0.1)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(6Z)-2-methoxy-6-[[[16-[[(Z)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=N3)OC

DOS

IR

Vibrations