Geometry & MOs

Info

ID:	446353
PubChem CID:	135274303
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	24.21
Dipole, Da:	4.23
IP(EA), eV:	-9.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(oxan-2-yl)-6-[3-[(3S)-oxolan-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]indazole

Drug info:

PubChemData

Smile

C1CC(C1)C2=NN=C(O2)C3CC(C3)NC(=O)C4=CC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations