Geometry & MOs

Info

ID:	85381
PubChem CID:	49874646
Reduced:	ON6H10C14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	127.25
Dipole, Da:	8.19
IP(EA), eV:	-8.76(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-ethyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C3=NN=NN23)OC4=CC=C(C=C4)N

DOS

IR

Vibrations