Geometry & MOs

Info

ID:	228101
PubChem CID:	87563454
Reduced:	CHO (8)
Stoich.:	ABC (8)
Weight, g/mol:	399.04701
ΔH_f, kcal/mol:	-313.33
Dipole, Da:	7.63
IP(EA), eV:	-11.32(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromo-4-propan-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

C(C(C(=O)O)OC(=O)/C=C\C(=O)O)C(=O)O

DOS

IR

Vibrations