Geometry & MOs

Info

ID:	200579
PubChem CID:	79412575
Reduced:	NOSC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	305.063426
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	4.79
IP(EA), eV:	-9.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(5-fluoro-2-nitrophenyl)-4-propylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(S1)CCCC2=O

DOS

IR

Vibrations