Geometry & MOs

Info

ID:

427628

PubChem CID:

135160835

Reduced:

F2O2N7H21C22 (1)

Stoich.:

A2B2C7D21E22 (1)

Weight, g/mol:

497.23508

ΔHf, kcal/mol:

17.0

Dipole, Da:

4.83

IP(EA), eV:

 -8.6(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-(2,6-difluoro-3,5-dimethoxycyclohepta-1,3,5-trien-1-yl)-N'-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-N-propan-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

C/C(=N\C1=C(C=CC(=N1)N(CC#N)C2=C(C(=CC(=C2F)OC)OC)F)N=C)/C3=CN(N=C3)C

DOS

IR

Vibrations