Geometry & MOs

Info

ID:	349501
PubChem CID:	127275388
Reduced:	NSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-145.76
Dipole, Da:	3.94
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-(1H-indazol-6-ylmethylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCC4)OC1

DOS

IR

Vibrations