Geometry & MOs

Info

ID:	66471
PubChem CID:	46504637
Reduced:	FN4O5H27C29 (1)
Stoich.:	AB4C5D27E29 (1)
Weight, g/mol:	525.226371
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	4.17
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-benzylpiperidine-1-carbonyl)-1-oxoisoquinolin-2-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5F)OC

DOS

IR

Vibrations