Geometry & MOs

Info

ID:	285396
PubChem CID:	104104195
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-32.14
Dipole, Da:	2.94
IP(EA), eV:	-8.91(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-5-yl(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CC2=CSC(=N2)C3=CC=CO3

DOS

IR

Vibrations