Geometry & MOs

Info

ID:	159812
PubChem CID:	57288776
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	8.2
IP(EA), eV:	-8.22(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=NC(=O)C(=C12)C=C3NC4=C(S3)CCCC4)CCC(=O)O

DOS

IR

Vibrations