Geometry & MOs

Info

ID:	256723
PubChem CID:	103140927
Reduced:	FN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	256.067034
ΔH_f, kcal/mol:	27.25
Dipole, Da:	4.96
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=NN(C=C2)C)NN)F

DOS

IR

Vibrations