Geometry & MOs

Info

ID:	73988
PubChem CID:	48421314
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	3.76
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-isoquinolin-5-yl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations