Geometry & MOs

Info

ID:	213178
PubChem CID:	81063123
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-87.08
Dipole, Da:	4.77
IP(EA), eV:	-10.19(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-methylfuran-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations