Geometry & MOs

Info

ID:	307050
PubChem CID:	125264802
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-97.46
Dipole, Da:	3.07
IP(EA), eV:	-9.41(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2C(=O)C3=CC=CO3)O[C@@H]1COCC4=CN=CC=C4

DOS

IR

Vibrations