Geometry & MOs

Info

ID:	17259
PubChem CID:	490576
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-148.79
Dipole, Da:	2.05
IP(EA), eV:	-8.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]octanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OCCCCCCCC(=O)O)CC2=CN=C(N=C2N)N

DOS

IR

Vibrations