Geometry & MOs

Info

ID:	387890
PubChem CID:	134987284
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	6.18
IP(EA), eV:	-9.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9bS)-1-methyl-3a,4,5,9b-tetrahydro-2H-benzo[e][1,3]benzoxazole

Drug info:

PubChemData

Smile

CCO/C(=C(\C=C(\C#N)/C(=O)OCC)/C#N)/N

DOS

IR

Vibrations