Geometry & MOs

Info

ID:	307048
PubChem CID:	125264795
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	23.35
Dipole, Da:	2.35
IP(EA), eV:	-9.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3aS,5R,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CC[C@@H]3[C@@H](C2)C[C@H](N3C)CN4C=NC=N4

DOS

IR

Vibrations