Geometry & MOs

Info

ID:	283846
PubChem CID:	104012141
Reduced:	FSO2N3H8C13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	44.05
Dipole, Da:	4.5
IP(EA), eV:	-9.26(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[amino-(4-methylphenyl)methylidene]pentanenitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C(=C(/C2=C(C=CC(=C2)F)[N+](=O)[O-])\N)/C#N

DOS

IR

Vibrations