Geometry & MOs

Info

ID:	150130
PubChem CID:	53789816
Reduced:	NSO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	3.98
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexoxy-2-hydroxy-6-methylbenzoic acid

Drug info:

PubChemData

Smile

CCC#COC1=CC=C(C=C1)SCN(C(=O)C2CCOCC2)O

DOS

IR

Vibrations