Geometry & MOs

Info

ID:	273287
PubChem CID:	103770831
Reduced:	NCl2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-108.35
Dipole, Da:	1.9
IP(EA), eV:	-10.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-hydroxy-4-methylpentyl)amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations