Geometry & MOs

Info

ID:	67974
PubChem CID:	46507534
Reduced:	FO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	263.061866
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	2.31
IP(EA), eV:	-9.91(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-difluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=N1)C2=CC=C(C=C2)F

DOS

IR

Vibrations