Geometry & MOs

Info

ID:	51126
PubChem CID:	12013750
Reduced:	ClN2O2H27C32 (1)
Stoich.:	AB2C2D27E32 (1)
Weight, g/mol:	397.167794
ΔH_f, kcal/mol:	56.23
Dipole, Da:	3.57
IP(EA), eV:	-8.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-2-methyl-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=C/C1=CC=CC=C1)/C(=O)C2C(N(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations