Geometry & MOs

Info

ID:	334328
PubChem CID:	127252880
Reduced:	N4O5H22C28 (1)
Stoich.:	A4B5C22D28 (1)
Weight, g/mol:	470.183316
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	5.13
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-piperidin-1-ylpurin-9-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC=CC6=C5C=CC=N6)OC

DOS

IR

Vibrations