Geometry & MOs

Info

ID:	425506
PubChem CID:	135126568
Reduced:	F2O2N4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	8.87
IP(EA), eV:	-9.33(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(4-chlorophenyl)piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=CC(=NC=C4)OC(F)F)C

DOS

IR

Vibrations