Geometry & MOs

Info

ID:	208064
PubChem CID:	80487467
Reduced:	N5C9H17 (1)
Stoich.:	A5B9C17 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	55.55
Dipole, Da:	2.57
IP(EA), eV:	-8.44(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylphenyl)methyl]-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

CC(C)CN1C(=NC(=N1)NC2CC2)N

DOS

IR

Vibrations