Geometry & MOs

Info

ID:	144822
PubChem CID:	53419356
Reduced:	Cl2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	245.126323
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	1.54
IP(EA), eV:	-9.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C=CC(=C1Cl)C)Cl

DOS

IR

Vibrations