Geometry & MOs

Info

ID:	121269
PubChem CID:	50761239
Reduced:	N5O5C17H21 (1)
Stoich.:	A5B5C17D21 (1)
Weight, g/mol:	351.114296
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	3.55
IP(EA), eV:	-8.51(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(N2C(=N1)N=NN2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

DOS

IR

Vibrations