Geometry & MOs

Info

ID:	342507
PubChem CID:	127265662
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	299.072449
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	5.56
IP(EA), eV:	-9.58(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-fluorophenyl)-3-(2-methylbut-2-enoylamino)propanoic acid

Drug info:

PubChemData

Smile

CC=C(C)C(=O)N1CCC(C1)(C)C(=O)O

DOS

IR

Vibrations