Geometry & MOs

Info

ID:	267343
PubChem CID:	103581927
Reduced:	ClNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	18.83
Dipole, Da:	4.45
IP(EA), eV:	-9.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-chloro-4-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCC#C)Cl

DOS

IR

Vibrations