Geometry & MOs

Info

ID:	285288
PubChem CID:	104098951
Reduced:	SN4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	288.099809
ΔH_f, kcal/mol:	62.25
Dipole, Da:	5.23
IP(EA), eV:	-9.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)CNCCN2C=CN=N2

DOS

IR

Vibrations