Geometry & MOs

Info

ID:	204925
PubChem CID:	80032994
Reduced:	FSN2O3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	6.94
IP(EA), eV:	-10.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CS(=O)(=O)C2=CC=CC(=C2)F

DOS

IR

Vibrations