Geometry & MOs

Info

ID:	38568
PubChem CID:	8137095
Reduced:	ClN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-56.95
Dipole, Da:	6.66
IP(EA), eV:	-9.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl)O

DOS

IR

Vibrations