Geometry & MOs

Info

ID:	31666
PubChem CID:	855996
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	287.047696
ΔH_f, kcal/mol:	2.54
Dipole, Da:	2.55
IP(EA), eV:	-8.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-nitrophenyl)-5-thiophen-2-yltetrazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)N

DOS

IR

Vibrations