Geometry & MOs

Info

ID:	167109
PubChem CID:	74782182
Reduced:	N3O3C25H34 (1)
Stoich.:	A3B3C25D34 (1)
Weight, g/mol:	334.136708
ΔH_f, kcal/mol:	-90.86
Dipole, Da:	0.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.386976
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methyl-[1-(1,2-oxazol-3-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CN(CCC1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations