Geometry & MOs

Info

ID:

377086

PubChem CID:

134223124

Reduced:

FNOC10H12 (1)

Stoich.:

ABCD10E12 (1)

Weight, g/mol:

446.223549

ΔHf, kcal/mol:

-70.8

Dipole, Da:

3.85

IP(EA), eV:

-9.51(-0.13)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-[(4E)-4-[(E)-2-[[[7-(methylaminomethyl)-7-phosphabicyclo[4.2.0]octa-1(6),2,4-trien-4-yl]amino]methyl]pent-2-en-4-ynylidene]-2-methylidenepyrrolidin-1-yl]-6-methylidenepiperidin-2-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2[C@@H]([C@H](O1)CF)N

DOS

IR

Vibrations