Geometry & MOs

Info

ID:

88556

PubChem CID:

49955406

Reduced:

Cl2N4O4H19C22 (1)

Stoich.:

A2B4C4D19E22 (1)

Weight, g/mol:

328.099884

ΔHf, kcal/mol:

-15.98

Dipole, Da:

3.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.796145

Charge, e:

 -1

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;chloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC=N4)OCC(=O)N.[Cl-]

DOS

IR

Vibrations