Geometry & MOs

Info

ID:	51128
PubChem CID:	12013752
Reduced:	ClNO2H20C25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	431.128821
ΔH_f, kcal/mol:	45.94
Dipole, Da:	4.81
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-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(ON=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations