Geometry & MOs

Info

ID:	373600
PubChem CID:	131317699
Reduced:	ClSN2O2F3H4C8 (1)
Stoich.:	ABC2D2E3F4G8 (1)
Weight, g/mol:	225.132906
ΔH_f, kcal/mol:	-184.92
Dipole, Da:	10.96
IP(EA), eV:	-10.42(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(difluoromethyl)-4-methylphenyl]piperidine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1C(F)(F)F)S(=O)(=O)Cl)N=CN2

DOS

IR

Vibrations