Geometry & MOs

Info

ID:	208059
PubChem CID:	80487355
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	63.25
Dipole, Da:	1.65
IP(EA), eV:	-8.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-ethyl-1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

CC(C)CNC1=NN(C(=N1)N)CC2=CC=CC=C2

DOS

IR

Vibrations