Geometry & MOs

Info

ID:	218119
PubChem CID:	85088908
Reduced:	NO6C24H33 (1)
Stoich.:	AB6C24D33 (1)
Weight, g/mol:	431.209658
ΔH_f, kcal/mol:	-173.61
Dipole, Da:	3.29
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-3-[2-[1-(4-phenylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCCCCCCCO[N+](=O)[O-]

DOS

IR

Vibrations