Geometry & MOs

Info

ID:	30214
PubChem CID:	840764
Reduced:	N3O6H13C16 (1)
Stoich.:	A3B6C13D16 (1)
Weight, g/mol:	324.031313
ΔH_f, kcal/mol:	-85.32
Dipole, Da:	5.08
IP(EA), eV:	-9.34(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-fluoro-5-nitrophenyl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations