Geometry & MOs

Info

ID:	128591
PubChem CID:	51051502
Reduced:	BrO5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	373.97654
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	2.33
IP(EA), eV:	-9.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)C(=O)OC)Br

DOS

IR

Vibrations