Geometry & MOs

Info

ID:	35306
PubChem CID:	7979661
Reduced:	ClN3O5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	350.107813
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	4.36
IP(EA), eV:	-8.68(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations