Geometry & MOs

Info

ID:	329837
PubChem CID:	127246704
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	40.39
Dipole, Da:	4.22
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-1-yl-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CCN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations