Geometry & MOs

Info

ID:	35313
PubChem CID:	7979674
Reduced:	ClN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	2.71
IP(EA), eV:	-9.46(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations