Geometry & MOs

Info

ID:	176708
PubChem CID:	76084575
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	187.020418
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	0.81
IP(EA), eV:	-10.02(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diazenyl-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(C1C)OC2(CCCC2)O

DOS

IR

Vibrations