Geometry & MOs

Info

ID:	213086
PubChem CID:	81062812
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	5.75
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dimethylfuran-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC=C(S1)C#CCCO

DOS

IR

Vibrations