Geometry & MOs

Info

ID:	381873
PubChem CID:	134972731
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	9.98
Dipole, Da:	3.62
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-hydroxy-1-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1CC(ON=C1C=CC2=CC=CC=C2)(C)C

DOS

IR

Vibrations