Geometry & MOs

Info

ID:	208060
PubChem CID:	80487463
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	67.03
Dipole, Da:	2.84
IP(EA), eV:	-8.35(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NN(C(=N1)N)C2=CC=C(C=C2)C

DOS

IR

Vibrations