Geometry & MOs

Info

ID:	145718
PubChem CID:	53581332
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	310.06551
ΔH_f, kcal/mol:	0.01
Dipole, Da:	3.13
IP(EA), eV:	-9.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methylsulfanyl]-1-(oxan-4-yl)tetrazole

Drug info:

PubChemData

Smile

CCN(CC1=COC=C1)C(=O)NCC2=CC=CC=C2CN3C=CN=C3

DOS

IR

Vibrations