Geometry & MOs

Info

ID:	5122
PubChem CID:	12629
Reduced:	O7C22H40 (1)
Stoich.:	A7B22C40 (1)
Weight, g/mol:	416.277404
ΔH_f, kcal/mol:	-397.26
Dipole, Da:	2.17
IP(EA), eV:	-10.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxynonadecane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations