Geometry & MOs

Info

ID:	306736
PubChem CID:	125236596
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-64.38
Dipole, Da:	5.36
IP(EA), eV:	-9.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C[C@@H]2COC[C@H]3[C@H]2CN(C3)CC4=CC=CC=N4

DOS

IR

Vibrations