Geometry & MOs

Info

ID:	293259
PubChem CID:	117379122
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	1.1
IP(EA), eV:	-8.92(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[carbamoyl(methyl)amino]phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1OC2CCOC2)CCC=O

DOS

IR

Vibrations