Geometry & MOs

Info

ID:	210772
PubChem CID:	80853580
Reduced:	N6H10C11 (1)
Stoich.:	A6B10C11 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	119.76
Dipole, Da:	2.09
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-propyl-3-(1,2,4-triazol-1-yl)aniline

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2C3=CC=CC=C3N=N2)N

DOS

IR

Vibrations