Geometry & MOs

Info

ID:

436498

PubChem CID:

135204516

Reduced:

O2N3C17H19 (1)

Stoich.:

A2B3C17D19 (1)

Weight, g/mol:

564.259737

ΔHf, kcal/mol:

-8.74

Dipole, Da:

3.6

IP(EA), eV:

 -8.74(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[3-[(1-prop-2-enoylpyrrolidin-3-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NOC=C1C2=C3CCN(C3=CC=C2)C(=O)C4CCCN4

DOS

IR

Vibrations