Geometry & MOs

Info

ID:	128590
PubChem CID:	51051501
Reduced:	ClNO3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	363.99464
ΔH_f, kcal/mol:	-22.36
Dipole, Da:	3.31
IP(EA), eV:	-9.37(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-4-(4-formyl-2-methoxyphenoxy)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations