Geometry & MOs

Info

ID:	78495
PubChem CID:	49693332
Reduced:	FN2O3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	455.141197
ΔH_f, kcal/mol:	-112.8
Dipole, Da:	6.84
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations