Geometry & MOs

Info

ID:	306872
PubChem CID:	125264142
Reduced:	ON3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	2.1
IP(EA), eV:	-8.56(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aR,7aS)-3-(dimethylamino)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2CC[C@@H]3[C@@H](C2)C[C@H](N3C)CN4CCCC4

DOS

IR

Vibrations