Geometry & MOs

Info

ID:	1482
PubChem CID:	4579
Reduced:	O3C28H44 (1)
Stoich.:	A3B28C44 (1)
Weight, g/mol:	428.329045
ΔH_f, kcal/mol:	-166.36
Dipole, Da:	4.63
IP(EA), eV:	-9.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-octadecylphenyl)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O

DOS

IR

Vibrations