Geometry & MOs

Info

ID:	413489
PubChem CID:	135086438
Reduced:	NOH3F4C9 (1)
Stoich.:	ABC3D4E9 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-146.9
Dipole, Da:	2.66
IP(EA), eV:	-10.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxyphenoxy)butanal

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1F)F)F)F)C(C=O)C#N

DOS

IR

Vibrations