Geometry & MOs

Info

ID:	303004
PubChem CID:	124489087
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-101.74
Dipole, Da:	4.16
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CCCO

DOS

IR

Vibrations