Geometry & MOs

Info

ID:	35357
PubChem CID:	7979749
Reduced:	ClFNO5H11C15 (1)
Stoich.:	ABCD5E11F15 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	1.64
IP(EA), eV:	-9.53(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations