Geometry & MOs

Info

ID:	78356
PubChem CID:	49688814
Reduced:	N2F3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-279.39
Dipole, Da:	5.28
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[[(2-ethoxyacetyl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1CCC(CC1)CNC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations