Geometry & MOs

Info

ID:	404212
PubChem CID:	135065444
Reduced:	ClON4H13C18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	458.06299
ΔH_f, kcal/mol:	103.34
Dipole, Da:	11.66
IP(EA), eV:	-7.92(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[2-(4-methylphenyl)ethynyl]benzamide

Drug info:

PubChemData

Smile

C1=C/C(=C/2\C(=C\3/C=C(NN3)C4=CC=C(C=C4)Cl)\C=NN2)/C(=O)C=C1

DOS

IR

Vibrations