Geometry & MOs

Info

ID:	285300
PubChem CID:	104098984
Reduced:	OF2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-62.5
Dipole, Da:	4.85
IP(EA), eV:	-9.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(triazol-1-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCCN2C=CN=N2)OC(F)F

DOS

IR

Vibrations