Geometry & MOs

Info

ID:	207504
PubChem CID:	80406405
Reduced:	ClN3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	309.088019
ΔH_f, kcal/mol:	-121.57
Dipole, Da:	4.49
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-5-cyanophenyl)carbamoylamino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

COCCN(CC(=O)O)C(=O)NC1=C(C=CC(=C1)C#N)Cl

DOS

IR

Vibrations