Geometry & MOs

Info

ID:	208058
PubChem CID:	80487354
Reduced:	C5N5H11 (1)
Stoich.:	A5B5C11 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	48.74
Dipole, Da:	2.91
IP(EA), eV:	-8.42(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-N-(2-methylpropyl)-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations