Geometry & MOs

Info

ID:	58951
PubChem CID:	24723499
Reduced:	ISO3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	285.045964
ΔH_f, kcal/mol:	-44.92
Dipole, Da:	3.16
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1,3-dioxolan-2-yl)thiophene-2-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

C1COC(O1)C2=CC=C(S2)C(=O)C3=CC=C(C=C3)I

DOS

IR

Vibrations