Geometry & MOs

Info

ID:

436427

PubChem CID:

135202602

Reduced:

FN9C31H36 (1)

Stoich.:

AB9C31D36 (1)

Weight, g/mol:

459.218287

ΔHf, kcal/mol:

110.65

Dipole, Da:

4.36

IP(EA), eV:

 -8.56(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3F)NC4=NC5=C(CN(CC5)C6(CN(C6)C(C)C)CC#N)C=C4

DOS

IR

Vibrations