Geometry & MOs

Info

ID:	306173
PubChem CID:	125002173
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	456.222449
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	4.06
IP(EA), eV:	-9.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-(2,4-difluorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCC[C@@H]2C3=NC=CC(=N3)CN(C)C

DOS

IR

Vibrations