Geometry & MOs

Info

ID:

437950

PubChem CID:

135227345

Reduced:

NF3C10H14 (1)

Stoich.:

AB3C10D14 (1)

Weight, g/mol:

540.419198

ΔHf, kcal/mol:

-146.64

Dipole, Da:

3.21

IP(EA), eV:

-8.99(-0.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4Z)-11-tert-butyl-8,8-dimethyl-2-(2-methylidenepentyl)-6-methylimino-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]bicyclo[7.3.1]trideca-1(13),4,9,11-tetraen-4-amine

Drug info:

PubChemData

Smile

CC/C=C(\C=C(/C)\C(F)(F)F)/C(=C)N

DOS

IR

Vibrations