Geometry & MOs

Info

ID:	216164
PubChem CID:	85085819
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	240.169859
ΔH_f, kcal/mol:	-50.21
Dipole, Da:	2.51
IP(EA), eV:	-8.32(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-hexyl-5,6,7,8a-tetrahydro-1H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

Drug info:

PubChemData

Smile

C1C(C(NC(=N1)NC2=CC=C(C=C2)N)CO)O

DOS

IR

Vibrations