Geometry & MOs

Info

ID:	378971
PubChem CID:	134228615
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	7.28
IP(EA), eV:	-9.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]tetrazole

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)OCC(CO)O)C#N

DOS

IR

Vibrations