Geometry & MOs

Info

ID:	270469
PubChem CID:	103636712
Reduced:	FN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	293.092417
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	7.18
IP(EA), eV:	-9.28(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoro-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCN(CC(C)C)C(=O)C1=C(C(=CC(=C1)F)[N+](=O)[O-])N

DOS

IR

Vibrations