Geometry & MOs

Info

ID:	401277
PubChem CID:	135050771
Reduced:	BNO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	51.02
Dipole, Da:	3.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.896503
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[ethoxy(hydroxy)methylidene]-2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-one

Drug info:

PubChemData

Smile

[B-][N+]1=C(OC(=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)O

DOS

IR

Vibrations