Geometry & MOs

Info

ID:	436190
PubChem CID:	135194432
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	46.6
Dipole, Da:	5.29
IP(EA), eV:	-8.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS)-2-(2-methoxyethyl)-5,5-dimethyl-8a-phenyl-4,4a,7,8-tetrahydro-3H-isoquinoline-1,6-dione

Drug info:

PubChemData

Smile

C/C(=N/C(=C\C1CCCC1)/N2CC[C@H]3C(C2)C=C(C(=O)C3(C)C)C#N)/N

DOS

IR

Vibrations