Geometry & MOs

Info

ID:	213338
PubChem CID:	81063484
Reduced:	ClN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-141.52
Dipole, Da:	5.89
IP(EA), eV:	-9.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=C1C(=O)NCC(C)CC(=O)O)Cl

DOS

IR

Vibrations