Geometry & MOs

Info

ID:	373725
PubChem CID:	131319343
Reduced:	SF2N2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	178.090627
ΔH_f, kcal/mol:	-40.14
Dipole, Da:	3.35
IP(EA), eV:	-8.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-3-ethyl-2-fluorophenyl)acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=CC(=C21)C(F)F)CC#N)N

DOS

IR

Vibrations