Geometry & MOs

Info

ID:	231553
PubChem CID:	87574099
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	232.105922
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	5.15
IP(EA), eV:	-9.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2,4-diamino-3-oxo-2-propan-2-ylhexanedioic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C=O)C2=CC=C(C=C2)CCl

DOS

IR

Vibrations