Geometry & MOs

Info

ID:	215861
PubChem CID:	85085359
Reduced:	N2O3C7H16 (1)
Stoich.:	A2B3C7D16 (1)
Weight, g/mol:	176.029586
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	2.28
IP(EA), eV:	-9.49(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylidene-1-benzofuran-2-thione

Drug info:

PubChemData

Smile

CC1(OC(C(O1)CN)CN)CO

DOS

IR

Vibrations