Geometry & MOs

Info

ID:	246701
PubChem CID:	103064669
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-0.29
Dipole, Da:	5.49
IP(EA), eV:	-8.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)-N-(thiolan-3-yl)isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=CC(=NC2=CC=CC=C21)C(=O)NC3CCSC3

DOS

IR

Vibrations