Geometry & MOs

Info

ID:	60963
PubChem CID:	26703679
Reduced:	ClFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-59.87
Dipole, Da:	3.57
IP(EA), eV:	-8.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-3,4,5-trimethoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations