Geometry & MOs

Info

ID:	306928
PubChem CID:	125264373
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	4.35
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,7aR)-1-[(2-methoxypyridin-3-yl)methyl]-3-(4-methylpiperazin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CCN(CC)[C@@H]1CN([C@H]2[C@H]1OCCC2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations