Geometry & MOs

Info

ID:	213327
PubChem CID:	81063461
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	3.05
IP(EA), eV:	-10.19(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations