Geometry & MOs

Info

ID:	45714
PubChem CID:	10516849
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-167.08
Dipole, Da:	4.05
IP(EA), eV:	-8.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxy-2-propylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N/NC1=C(C=C(C=C1)C(=O)OC)O)/C

DOS

IR

Vibrations