Geometry & MOs

Info

ID:	231480
PubChem CID:	87573851
Reduced:	ClN2H27C28 (1)
Stoich.:	AB2C27D28 (1)
Weight, g/mol:	318.167853
ΔH_f, kcal/mol:	81.34
Dipole, Da:	3.66
IP(EA), eV:	-9.08(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(6-hydroxyhexanoyloxy)pentanoyloxy]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1(CCC1)C2=CC=C(C=C2)C3=NC4=C(C=C3C5=CC=CC=C5)N=C(C=C4)Cl

DOS

IR

Vibrations