Geometry & MOs

Info

ID:	306726
PubChem CID:	125235792
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	4.15
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3aR,6aS)-5-(cyclobutylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C[C@@H]3COC[C@@H]([C@@H]3C2)CC(=O)N4CCOCC4

DOS

IR

Vibrations