Geometry & MOs

Info

ID:	64459
PubChem CID:	29200718
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	444.164499
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	4.05
IP(EA), eV:	-9.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)C2=CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations