Geometry & MOs

Info

ID:	415341
PubChem CID:	135088335
Reduced:	N2O5C21H34 (1)
Stoich.:	A2B5C21D34 (1)
Weight, g/mol:	386.132509
ΔH_f, kcal/mol:	-221.01
Dipole, Da:	1.45
IP(EA), eV:	-8.88(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(O1)CN2CCC3(CC2)[C@H]([C@](CCO3)(C)NC(=O)COC)O

DOS

IR

Vibrations