Geometry & MOs

Info

ID:	306958
PubChem CID:	125264433
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-1.14
Dipole, Da:	1.68
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S,7aR)-1-[(1-methylimidazol-2-yl)methyl]-5-(2-methylpropoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)[C@@H]2CN([C@H]3[C@H]2OCCC3)C4=NC=CC=N4

DOS

IR

Vibrations