Geometry & MOs

Info

ID:	403125
PubChem CID:	135058828
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	393.01312
ΔH_f, kcal/mol:	-140.47
Dipole, Da:	1.54
IP(EA), eV:	-9.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(4-chlorobenzoyl)phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

COCCOC[C@H](/C=C/C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations