Geometry & MOs

Info

ID:	57047
PubChem CID:	22395264
Reduced:	N2C5H13 (2)
Stoich.:	A2B5C13 (2)
Weight, g/mol:	279.159634
ΔH_f, kcal/mol:	-19.53
Dipole, Da:	3.31
IP(EA), eV:	-8.99(2.45)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3,4-dihydroxy-2-nonylbenzoate

Drug info:

PubChemData

Smile

CCCCNCCNCCNCCN

DOS

IR

Vibrations