Geometry & MOs

Info

ID:	436195
PubChem CID:	135194463
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	4.41
IP(EA), eV:	-9.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS,9S)-4a,6,9-trimethyl-7,8,8a,9-tetrahydro-4H-[1,2]oxazolo[5,4-g]isoquinolin-5-one

Drug info:

PubChemData

Smile

C[C@]12CN(CC=C1C(C(=O)C(=C2)C#N)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations