Geometry & MOs

Info

ID:	425553
PubChem CID:	135126689
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	232.167459
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	2.42
IP(EA), eV:	-9.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9,10-dihydroxyundecanoate

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=N1)C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations