Geometry & MOs

Info

ID:	151277
PubChem CID:	53790977
Reduced:	NF3O6C20H22 (1)
Stoich.:	AB3C6D20E22 (1)
Weight, g/mol:	299.120755
ΔH_f, kcal/mol:	-364.63
Dipole, Da:	6.03
IP(EA), eV:	-8.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4,4-bis(2-chloroethyl)piperidine

Drug info:

PubChemData

Smile

CC1([C@H]([C@H]1C(=O)OCN2C(=C3CCC=CC3=C2O)O)C=CC(=O)OCC(F)(F)F)C

DOS

IR

Vibrations