Geometry & MOs

Info

ID:	438306
PubChem CID:	135228039
Reduced:	F2N3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	437.141179
ΔH_f, kcal/mol:	-21.0
Dipole, Da:	1.59
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[bis(5-fluoropyridin-2-yl)methyl]-5-(3,5-dimethyltriazol-4-yl)-2-nitroaniline

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)NC2=NC=C(C=C2)F

DOS

IR

Vibrations