Geometry & MOs

Info

ID:	444454
PubChem CID:	135262492
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	349.155705
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	2.03
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-chloro-1-(oxan-2-yl)indazol-6-yl]-4-methylpiperidin-4-ol

Drug info:

PubChemData

Smile

CCSC1=C(C=CC2=C1C=CN=C2)C(=O)OC

DOS

IR

Vibrations