Geometry & MOs

Info

ID:	353577
PubChem CID:	127285154
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	4.97
IP(EA), eV:	-9.4(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)C3CCC=CC3

DOS

IR

Vibrations