Geometry & MOs

Info

ID:	29041
PubChem CID:	831298
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	324.074621
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	4.09
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1(C(=N[C@H](N1O)C2=CC(=C(C=C2)O)OC)C3=CC=CC=C3)C

DOS

IR

Vibrations