Geometry & MOs

Info

ID:	236837
PubChem CID:	92714938
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	7.78
IP(EA), eV:	-9.21(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-phenoxy-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C4=CC=NC=C4

DOS

IR

Vibrations