Geometry & MOs

Info

ID:	121270
PubChem CID:	50761268
Reduced:	F2O3N5C15H15 (1)
Stoich.:	A2B3C5D15E15 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	2.24
IP(EA), eV:	-9.71(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)N=NN2)C3=C(C=CC(=C3)F)F)C(=O)OCCOC

DOS

IR

Vibrations