Geometry & MOs

Info

ID:	221507
PubChem CID:	85273796
Reduced:	ClN3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	2.92
IP(EA), eV:	-8.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C(C(=O)OC)N=[N+]=[N-])OCCCl

DOS

IR

Vibrations