Geometry & MOs

Info

ID:	333136
PubChem CID:	127251684
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	31.88
Dipole, Da:	6.3
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NN=C2C(=O)N3CCOC(C3)C4=NC(=CC(=C4)NC5=CC=CC=N5)C

DOS

IR

Vibrations