Geometry & MOs

Info

ID:	436425
PubChem CID:	135202589
Reduced:	F2O2N7C28H31 (1)
Stoich.:	A2B2C7D28E31 (1)
Weight, g/mol:	473.233937
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	5.9
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C2C=C(C=C(C2=NN1C)F)C3=NC(=NC=C3F)NC4=NC5=C(CN(CC5)C(=O)OC(C)(C)C)C=C4

DOS

IR

Vibrations