Geometry & MOs

Info

ID:	88636
PubChem CID:	49955829
Reduced:	ClON6H18C20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	386.138378
ΔH_f, kcal/mol:	171.1
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750024
Charge, e:	-1

Chem-info

IUPAC name:

1-(oxolan-2-yl)-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]methanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=CC(=C3)CNCC4=CN=CC=C4.[Cl-]

DOS

IR

Vibrations