Geometry & MOs

Info

ID:

435843

PubChem CID:

135192560

Reduced:

FN2O4H23C24 (1)

Stoich.:

AB2C4D23E24 (1)

Weight, g/mol:

456.278821

ΔHf, kcal/mol:

-116.72

Dipole, Da:

6.97

IP(EA), eV:

 -8.72(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4Z)-5-[ethyl(methyl)amino]-5-[(5E,7E)-7-fluoro-5,6-dimethyl-10-azabicyclo[7.3.1]trideca-1(13),5,7,9,11-pentaen-11-yl]-3-(1-methoxyethyl)-2-(methoxymethyl)penta-2,4-dienal

Drug info:

PubChemData

Smile

CC[C@@]1(C2C=C3C4=NC5=CC(=C(C6=C5C(=C4CN3C(=O)C2COC1=O)CCC6)C)F)O

DOS

IR

Vibrations