Geometry & MOs

Info

ID:	80462
PubChem CID:	49834582
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	3.78
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-(3-piperidin-1-ylpropoxy)-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)N2)OCCN

DOS

IR

Vibrations