Geometry & MOs

Info

ID:	262791
PubChem CID:	103317887
Reduced:	OF2N5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	167.117095
ΔH_f, kcal/mol:	-20.62
Dipole, Da:	5.02
IP(EA), eV:	-9.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-6-methyl-1,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CN=C2N=NNN2C1C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations