Geometry & MOs

Info

ID:	306862
PubChem CID:	125263964
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	310.189257
ΔH_f, kcal/mol:	-39.98
Dipole, Da:	3.68
IP(EA), eV:	-9.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3aS,5S,7aR)-1-acetyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC(=O)[C@@H]2C[C@@H]3[C@@H](O2)CCN3CC4=CC=CO4

DOS

IR

Vibrations