Geometry & MOs

Info

ID:

228188

PubChem CID:

87563631

Reduced:

O2N3C7H7 (1)

Stoich.:

A2B3C7D7 (1)

Weight, g/mol:

977.438444

ΔHf, kcal/mol:

47.83

Dipole, Da:

4.24

IP(EA), eV:

-10.44(-1.89)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-[4-[(6-aminopyridin-3-yl)methylcarbamoylamino]-2,5-difluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-[4-[(6-aminopyridin-3-yl)methylcarbamoylamino]-3-fluorophenyl]-4-(ethylamino)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=NC=C1[N+](=O)[O-])CC=N

DOS

IR

Vibrations