Geometry & MOs

Info

ID:	306903
PubChem CID:	125264281
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	3.03
IP(EA), eV:	-8.95(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5S,7aR)-5-(prop-2-enoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(1,3-benzodioxol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3

DOS

IR

Vibrations