Geometry & MOs

Info

ID:	213679
PubChem CID:	81064621
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-164.41
Dipole, Da:	3.27
IP(EA), eV:	-9.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations