Geometry & MOs

Info

ID:	256745
PubChem CID:	103141048
Reduced:	FN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	29.21
Dipole, Da:	4.11
IP(EA), eV:	-9.2(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methoxypropylsulfanyl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations