Geometry & MOs

Info

ID:	446277
PubChem CID:	135273721
Reduced:	O4N6C27H34 (1)
Stoich.:	A4B6C27D34 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	5.14
IP(EA), eV:	-8.97(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-indazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3CO)C4COC4)N(N=C2)C5=CC(=NC(=N5)OC)N6CC7CC6CO7

DOS

IR

Vibrations