Geometry & MOs

Info

ID:	19398
PubChem CID:	563007
Reduced:	O3N5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	287.101839
ΔH_f, kcal/mol:	-40.53
Dipole, Da:	2.46
IP(EA), eV:	-9.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(2-hydroxyethyl)triazolo[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(N=N2)N(C(=O)NC3=O)CCO

DOS

IR

Vibrations