Geometry & MOs

Info

ID:

432888

PubChem CID:

135173025

Reduced:

ON9H21C26 (1)

Stoich.:

AB9C21D26 (1)

Weight, g/mol:

515.29212

ΔHf, kcal/mol:

204.72

Dipole, Da:

10.77

IP(EA), eV:

 -8.8(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[2-[4-[(Z)-2-(methylamino)-2-piperidin-4-ylethenyl]-5-methylidenepyrazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC1C(NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/N=C6C=NC=C(C6=N5)C7=CC=CC=N7)/NN4)O

DOS

IR

Vibrations