Geometry & MOs

Info

ID:	29173
PubChem CID:	832147
Reduced:	NCl2O2H11C17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-10.19
Dipole, Da:	3.76
IP(EA), eV:	-9.24(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\2/C(=O)OC(=N2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations