Geometry & MOs

Info

ID:	124439
PubChem CID:	50883583
Reduced:	N3O5H13C18 (1)
Stoich.:	A3B5C13D18 (1)
Weight, g/mol:	456.01278
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	6.05
IP(EA), eV:	-8.67(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations