Geometry & MOs

Info

ID:	60367
PubChem CID:	26683925
Reduced:	ClN2O6H19C23 (1)
Stoich.:	AB2C6D19E23 (1)
Weight, g/mol:	375.147058
ΔH_f, kcal/mol:	-105.6
Dipole, Da:	6.23
IP(EA), eV:	-8.93(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 2-(2,3-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)OC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations