Geometry & MOs

Info

ID:	179289
PubChem CID:	76461531
Reduced:	ClN2P2O7C13H13 (1)
Stoich.:	AB2C2D7E13F13 (1)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	-362.01
Dipole, Da:	4.47
IP(EA), eV:	-9.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=CC(=O)N)C(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations