Geometry & MOs

Info

ID:	256707
PubChem CID:	103140871
Reduced:	NOC19H25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	2.55
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(C(C1)O)C(C)(C)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations