Geometry & MOs

Info

ID:	13889
PubChem CID:	399606
Reduced:	O3N7C11H13 (1)
Stoich.:	A3B7C11D13 (1)
Weight, g/mol:	291.107987
ΔH_f, kcal/mol:	23.53
Dipole, Da:	11.02
IP(EA), eV:	-9.4(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C2C(=NC=NC2=O)N(N1)CC3=CN(N=N3)COCCO

DOS

IR

Vibrations