Geometry & MOs

Info

ID:	446262
PubChem CID:	135273622
Reduced:	IPO2N3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	303.173548
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	3.46
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1H-indazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=CCN(CC3)C(=O)OC(C)(C)C)N(N=C2)PI

DOS

IR

Vibrations