Geometry & MOs

Info

ID:	305742
PubChem CID:	124967410
Reduced:	ClN2O2C27H35 (1)
Stoich.:	AB2C2D27E35 (1)
Weight, g/mol:	403.190734
ΔH_f, kcal/mol:	-54.37
Dipole, Da:	5.83
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@]2(CCCN(C2)CC3CC3)CC(=O)N(C)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations