Geometry & MOs

Info

ID:	218304
PubChem CID:	85089150
Reduced:	NO3C12H17 (2)
Stoich.:	AB3C12D17 (2)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-245.15
Dipole, Da:	1.42
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-3-[2-[1-(4-pyridin-2-ylphenyl)pentylideneamino]oxyethoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2=C(C=CC(=C2)CC(CO)N)OC)CO

DOS

IR

Vibrations