Geometry & MOs

Info

ID:	216780
PubChem CID:	85086761
Reduced:	FN2H13C20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	61.79
Dipole, Da:	2.93
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-1-(naphthalen-1-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-isoquinolin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C#N)C4=C2C=C(C=C4)F

DOS

IR

Vibrations