Geometry & MOs

Info

ID:	21618
PubChem CID:	589244
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	103.71
Dipole, Da:	8.44
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-N-methylaniline

Drug info:

PubChemData

Smile

CN(C=CC1=NN=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations