Geometry & MOs

Info

ID:	408327
PubChem CID:	135081093
Reduced:	O5H8C11 (1)
Stoich.:	A5B8C11 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	2.45
IP(EA), eV:	-9.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-(butylamino)-3-methylbutanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO/C(=C\C(=O)[O-])/C(=O)[O-]

DOS

IR

Vibrations