Geometry & MOs

Info

ID:	277010
PubChem CID:	103826229
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	332.02727
ΔH_f, kcal/mol:	99.51
Dipole, Da:	5.44
IP(EA), eV:	-8.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=CC=CC(=C2)C3=CC=NN3

DOS

IR

Vibrations