Geometry & MOs

Info

ID:	374535
PubChem CID:	131331167
Reduced:	FSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	-130.84
Dipole, Da:	3.61
IP(EA), eV:	-8.96(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(diethylamino)benzonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=CC(=C(C=C2S1)F)O

DOS

IR

Vibrations