Geometry & MOs

Info

ID:	208062
PubChem CID:	80487465
Reduced:	O2N6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	234.086524
ΔH_f, kcal/mol:	100.03
Dipole, Da:	5.48
IP(EA), eV:	-8.87(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC2=NN(C(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations