Geometry & MOs

Info

ID:	256721
PubChem CID:	103140922
Reduced:	BrNC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	204.07212
ΔH_f, kcal/mol:	22.26
Dipole, Da:	3.08
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethylsulfanylisoquinolin-5-amine

Drug info:

PubChemData

Smile

CCC(CCC1=CC=CC2=C1C=NC=C2)Br

DOS

IR

Vibrations