Geometry & MOs

Info

ID:	307020
PubChem CID:	125264673
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	336.241293
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	6.15
IP(EA), eV:	-9.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,5S,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

C1CN([C@H]2[C@@H]1NC(=O)C2)C(=O)C3=NC=CC3

DOS

IR

Vibrations