Geometry & MOs

Info

ID:	262790
PubChem CID:	103317795
Reduced:	F2N5C11H11 (1)
Stoich.:	A2B5C11D11 (1)
Weight, g/mol:	267.093166
ΔH_f, kcal/mol:	0.58
Dipole, Da:	4.98
IP(EA), eV:	-9.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(difluoromethoxy)phenyl]-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CN=C2N=C(NN2C1C3=C(C=CC(=C3)F)F)N

DOS

IR

Vibrations