Geometry & MOs

Info

ID:	121267
PubChem CID:	50761100
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	333.123718
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	4.45
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 7-(3-fluorophenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)N4CCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations