Geometry & MOs

Info

ID:	128593
PubChem CID:	51051504
Reduced:	BrNO3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	354.071508
ΔH_f, kcal/mol:	-10.57
Dipole, Da:	1.69
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations