Geometry & MOs

Info

ID:	262504
PubChem CID:	103297378
Reduced:	FN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	293.092417
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	5.18
IP(EA), eV:	-9.9(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N,3-dimethyl-5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)NCC2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations