Geometry & MOs

Info

ID:	208065
PubChem CID:	80487739
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	71.98
Dipole, Da:	3.38
IP(EA), eV:	-8.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=NC(=N2)N)N

DOS

IR

Vibrations