Geometry & MOs

Info

ID:	256406
PubChem CID:	103139050
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	5.4
Dipole, Da:	5.35
IP(EA), eV:	-8.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methoxy-2-phenylethanol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations