Geometry & MOs

Info

ID:	294611
PubChem CID:	117473811
Reduced:	ClNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	293.079426
ΔH_f, kcal/mol:	-107.57
Dipole, Da:	5.87
IP(EA), eV:	-9.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]piperidine

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C(C=C(C3=C2OCO3)C=O)Cl)N=C=O

DOS

IR

Vibrations