Geometry & MOs

Info

ID:	185564
PubChem CID:	77314507
Reduced:	SN5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	67.98
Dipole, Da:	3.06
IP(EA), eV:	-7.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[5.2.0]nonan-3-yl)-5-(2,3-dihydrofuran-3-yl)-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C(=C2NC(=CS2)C3=CC=CC=C3)N)NCC4CCCCC4

DOS

IR

Vibrations