Geometry & MOs

Info

ID:	285302
PubChem CID:	104098988
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	298.02294
ΔH_f, kcal/mol:	21.89
Dipole, Da:	5.93
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2-fluorophenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)CNCCN2C=CN=N2

DOS

IR

Vibrations