Geometry & MOs

Info

ID:	136475
PubChem CID:	52048452
Reduced:	FN4O4C26H31 (1)
Stoich.:	AB4C4D26E31 (1)
Weight, g/mol:	510.264234
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	2.29
IP(EA), eV:	-8.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@H](C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)F

DOS

IR

Vibrations