Geometry & MOs

Info

ID:	306909
PubChem CID:	125264303
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	8.28
Dipole, Da:	6.18
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,6aS)-4-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2CC3=CC(=CC=C3)C#N)O[C@H]1COC4=CN=CC=C4

DOS

IR

Vibrations