Geometry & MOs

Info

ID:	401281
PubChem CID:	135050808
Reduced:	NO6C12H21 (1)
Stoich.:	AB6C12D21 (1)
Weight, g/mol:	349.086956
ΔH_f, kcal/mol:	-289.62
Dipole, Da:	1.34
IP(EA), eV:	-9.99(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,4,5-triphenyl-1,3-oxazol-3-ium;chloride

Drug info:

PubChemData

Smile

CCOC(=O)CC1(OCCO1)CC(C)NC(=O)OC

DOS

IR

Vibrations