Geometry & MOs

Info

ID:	23895
PubChem CID:	607031
Reduced:	ClNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	283.061136
ΔH_f, kcal/mol:	-165.9
Dipole, Da:	6.73
IP(EA), eV:	-10.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-carbamoyl-2-chloro-6-methylphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)CCC(=O)OC)Cl)C(=O)N

DOS

IR

Vibrations