Geometry & MOs

Info

ID:	438576
PubChem CID:	135228320
Reduced:	ClN2O6C23H29 (1)
Stoich.:	AB2C6D23E29 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	-254.95
Dipole, Da:	1.43
IP(EA), eV:	-9.54(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-2-ethyl-2,4-dimethylhexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCOCCN1C(C2=C3C(=C(C=C2)Cl)C=CC=C3C1=O)O

DOS

IR

Vibrations