Geometry & MOs

Info

ID:	136618
PubChem CID:	52074211
Reduced:	ClFN3O3C25H28 (1)
Stoich.:	ABC3D3E25F28 (1)
Weight, g/mol:	478.270582
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	7.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.034578
Charge, e:	1

Chem-info

IUPAC name:

1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)C[NH+]3CCC(CC3)C(=O)NCC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations