Geometry & MOs

Info

ID:

441385

PubChem CID:

135234459

Reduced:

NC13H19 (1)

Stoich.:

AB13C19 (1)

Weight, g/mol:

608.313584

ΔHf, kcal/mol:

22.66

Dipole, Da:

1.76

IP(EA), eV:

 -8.47(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3,3-dimethylbutan-1-ol

Drug info:

PubChemData

Smile

CC1(C=CC2=C(CN(CC2)C)C=C1)C

DOS

IR

Vibrations