Geometry & MOs

Info

ID:	208061
PubChem CID:	80487464
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	260.102174
ΔH_f, kcal/mol:	64.17
Dipole, Da:	3.81
IP(EA), eV:	-8.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-cyclopropyl-1-(4-nitrophenyl)-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

CCCNC1=NN(C(=N1)N)C2=CC=C(C=C2)C

DOS

IR

Vibrations