Geometry & MOs

Info

ID:	306459
PubChem CID:	125011790
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	406.150427
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	4.46
IP(EA), eV:	-8.99(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-(2,4-difluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)C(=O)N3CCC[C@H]3CCC4=CC=NC=C4

DOS

IR

Vibrations