Geometry & MOs

Info

ID:	307039
PubChem CID:	125264728
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	5.81
IP(EA), eV:	-9.61(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S,7aR)-N-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)C2=NC=CC2)C(=O)CCl

DOS

IR

Vibrations