Geometry & MOs

Info

ID:	150541
PubChem CID:	53790234
Reduced:	ClNH4O5C12 (1)
Stoich.:	ABC4D5E12 (1)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	6.58
IP(EA), eV:	-10.64(-2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-di(hexan-2-yloxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(C=C3C2=C1C(=O)OC3=O)[N+](=O)[O-])Cl

DOS

IR

Vibrations