Geometry & MOs

Info

ID:	288505
PubChem CID:	104317884
Reduced:	F2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	4.47
IP(EA), eV:	-9.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(3-hydroxybutoxy)benzaldehyde

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1F)C=O)F)O

DOS

IR

Vibrations