Geometry & MOs

Info

ID:	273922
PubChem CID:	103805871
Reduced:	BrSO2N3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	204.069891
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	4.3
IP(EA), eV:	-9.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanopropoxy)-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCNCC1)C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations