Geometry & MOs

Info

ID:	213279
PubChem CID:	81063326
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	287.072449
ΔH_f, kcal/mol:	-142.89
Dipole, Da:	2.64
IP(EA), eV:	-9.13(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations