Geometry & MOs

Info

ID:	213184
PubChem CID:	81063132
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	6.42
IP(EA), eV:	-10.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NNC(=N1)C2CC2

DOS

IR

Vibrations