Geometry & MOs

Info

ID:	202789
PubChem CID:	79726386
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-169.64
Dipole, Da:	8.36
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3-hydroxy-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N(CCC(=O)O)C2CC2)O

DOS

IR

Vibrations