Geometry & MOs

Info

ID:	394810
PubChem CID:	135023844
Reduced:	NO2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.911913
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R)-1,2-bis(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[N+](=C)/C=C(\O)/OC

DOS

IR

Vibrations