Geometry & MOs

Info

ID:	307041
PubChem CID:	125264736
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	20.66
Dipole, Da:	5.32
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aS,7aR)-3-(dimethylamino)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CC[C@@H]3[C@@H](C2)C[C@@H](N3C)CN4C=CC=N4

DOS

IR

Vibrations