Geometry & MOs

Info

ID:	311889
PubChem CID:	126598888
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	393.132471
ΔH_f, kcal/mol:	-59.23
Dipole, Da:	3.81
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(3-formylphenyl)methylamino]pyrimidin-5-yl]-2-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C2COC2

DOS

IR

Vibrations