Geometry & MOs

Info

ID:	346401
PubChem CID:	127270905
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	371.144533
ΔH_f, kcal/mol:	-55.89
Dipole, Da:	3.2
IP(EA), eV:	-8.56(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4-difluorophenoxy)piperidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CCCSCC2

DOS

IR

Vibrations