Geometry & MOs

Info

ID:	150917
PubChem CID:	53790614
Reduced:	ClN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	502.350569
ΔH_f, kcal/mol:	-3.72
Dipole, Da:	5.2
IP(EA), eV:	-8.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydroxypropyl)-5-tridecyloctane-1,4,8-tricarboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCCN1C2=CN=C(C=C2)Cl

DOS

IR

Vibrations