Geometry & MOs

Info

ID:	336932
PubChem CID:	127255939
Reduced:	ClN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	376.297745
ΔH_f, kcal/mol:	-23.49
Dipole, Da:	4.49
IP(EA), eV:	-10.06(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3,5-di(octan-2-yl)benzoate

Drug info:

PubChemData

Smile

C1CC2=C(C1N)C=CC=C2[N+](=O)[O-].Cl

DOS

IR

Vibrations