Geometry & MOs

Info

ID:	31636
PubChem CID:	855963
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	242.062618
ΔH_f, kcal/mol:	37.42
Dipole, Da:	1.78
IP(EA), eV:	-8.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-thiophen-2-yltetrazole

Drug info:

PubChemData

Smile

C1COCCN1C(=NC2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations