Geometry & MOs

Info

ID:	37092
PubChem CID:	8016820
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-240.14
Dipole, Da:	11.62
IP(EA), eV:	-9.39(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethoxy]phenyl]butan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations