Geometry & MOs

Info

ID:	285183
PubChem CID:	104098507
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	311.00179
ΔH_f, kcal/mol:	16.74
Dipole, Da:	1.85
IP(EA), eV:	-8.85(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-nitro-N-[2-(triazol-1-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)CNC2(CCC2)C

DOS

IR

Vibrations