Geometry & MOs

Info

ID:	436200
PubChem CID:	135194793
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	359.224915
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	4.01
IP(EA), eV:	-9.85(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8aR)-2,5-dibenzyl-5,8a-dimethyl-1,3,7,8-tetrahydroisoquinolin-6-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2CC(=O)C(=CC2(C1)C)C#N

DOS

IR

Vibrations