Geometry & MOs

Info

ID:	444470
PubChem CID:	135262569
Reduced:	ON7C28H37 (1)
Stoich.:	AB7C28D37 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	53.28
Dipole, Da:	4.89
IP(EA), eV:	-8.63(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4COC4)N(N=C2)C5=CC(=NC(=N5)C)N6CCN7CCC[C@@H]7C6

DOS

IR

Vibrations