Geometry & MOs

Info

ID:	267956
PubChem CID:	103590706
Reduced:	FO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	220.112425
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	3.52
IP(EA), eV:	-8.16(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluoro-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCCC(=O)N2CCOCC2

DOS

IR

Vibrations