Geometry & MOs

Info

ID:	128588
PubChem CID:	51051499
Reduced:	Cl2N2H8C15 (1)
Stoich.:	A2B2C8D15 (1)
Weight, g/mol:	330.027056
ΔH_f, kcal/mol:	65.33
Dipole, Da:	3.75
IP(EA), eV:	-8.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC4=C(C=CC(=C4)Cl)C(=C3N2)Cl

DOS

IR

Vibrations