Geometry & MOs

Info

ID:	136585
PubChem CID:	52068478
Reduced:	N3O5C25H30 (1)
Stoich.:	A3B5C25D30 (1)
Weight, g/mol:	378.218152
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954515
Charge, e:	1

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-5-methyl-4-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=C(C=C(C=C2)OC)OC)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations