Geometry & MOs

Info

ID:	325091
PubChem CID:	126680600
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	358.141638
ΔH_f, kcal/mol:	-119.08
Dipole, Da:	2.49
IP(EA), eV:	-9.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-(2-methoxy-3,4,6-trimethylbenzoyl)oxy-3,6-dimethylbenzoic acid

Drug info:

PubChemData

Smile

COCCOCCOC(=O)C1(CC1)C#N

DOS

IR

Vibrations