Geometry & MOs

Info

ID:	285237
PubChem CID:	104098758
Reduced:	BrN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	288.099809
ΔH_f, kcal/mol:	73.18
Dipole, Da:	7.01
IP(EA), eV:	-9.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCCN2C=CN=N2)Br

DOS

IR

Vibrations