Geometry & MOs

Info

ID:	220338
PubChem CID:	85177311
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	246.122909
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	5.02
IP(EA), eV:	-8.85(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)cyclohex-3-en-1-yl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)C1C(CNN1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations