Geometry & MOs

Info

ID:	444492
PubChem CID:	135262625
Reduced:	O3N7C28H35 (1)
Stoich.:	A3B7C28D35 (1)
Weight, g/mol:	506.264154
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	5.76
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-2,5-dioxa-8-azaspiro[3.5]nonane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4COC4)N(N=C2)C5=CC(=NC(=N5)C)N6CCC7(CC6)COC(=O)N7

DOS

IR

Vibrations