Geometry & MOs

Info

ID:	148071
PubChem CID:	53787733
Reduced:	FN3O5C10H12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	134.049843
ΔH_f, kcal/mol:	-229.42
Dipole, Da:	6.62
IP(EA), eV:	-9.96(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chlorohexanal

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC=O)F)O)O

DOS

IR

Vibrations