Geometry & MOs

Info

ID:	255686
PubChem CID:	103134004
Reduced:	NO2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	7.74
Dipole, Da:	4.59
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1C2=C(CO1)C=C(C=C2)C(=O)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations