Geometry & MOs

Info

ID:

432548

PubChem CID:

135172681

Reduced:

F2O3C12H12 (3)

Stoich.:

A2B3C12D12 (3)

Weight, g/mol:

430.284495

ΔHf, kcal/mol:

-622.77

Dipole, Da:

5.13

IP(EA), eV:

 -8.9(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[6-[(1-buta-1,3-dien-2-ylpiperidin-4-yl)methyl]pyridin-3-yl]ethyl]-4-(2-methylidenepyrrolidin-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)OC(C3=CC(=C(C=C3)CCCCC(F)(F)F)F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations