Geometry & MOs

Info

ID:	306859
PubChem CID:	125263960
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-33.54
Dipole, Da:	7.13
IP(EA), eV:	-9.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,5S,7aR)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]2[C@H]1N(CC2)C(=O)CCC3=CC=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations