Geometry & MOs

Info

ID:	45547
PubChem CID:	10514777
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	3.87
IP(EA), eV:	-8.37(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,7R,8aR)-2-(furan-2-yl)-4,4,7-trimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazine

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)/C(=C/N3CCOCC3)/C2=O

DOS

IR

Vibrations