Geometry & MOs

Info

ID:

45676

PubChem CID:

10516426

Reduced:

ON2C11H11 (1)

Stoich.:

AB2C11D11 (1)

Weight, g/mol:

274.055352

ΔHf, kcal/mol:

36.26

Dipole, Da:

1.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.817136

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde

Drug info:

PubChemData

Smile

CN1CC=C[N+]2=C1OC3=CC=CC=C32

DOS

IR

Vibrations