Geometry & MOs

Info

ID:	206598
PubChem CID:	80270754
Reduced:	FN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	297.151098
ΔH_f, kcal/mol:	8.03
Dipole, Da:	0.87
IP(EA), eV:	-7.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-methyl-N-[(6-methylpyridin-2-yl)methyl]-1,1-dioxothian-4-amine

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=N1)C2=C(C=C(C=C2)N)F

DOS

IR

Vibrations