Geometry & MOs

Info

ID:	341770
PubChem CID:	127264463
Reduced:	ClN2O2C9H21 (1)
Stoich.:	AB2C2D9E21 (1)
Weight, g/mol:	442.178024
ΔH_f, kcal/mol:	-142.93
Dipole, Da:	5.09
IP(EA), eV:	-9.25(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,5S,6aR)-2-oxo-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate

Drug info:

PubChemData

Smile

CN(C)CCCNCCC(=O)OC.Cl

DOS

IR

Vibrations