Geometry & MOs

Info

ID:	392076
PubChem CID:	135012633
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	302.209324
ΔH_f, kcal/mol:	2.44
Dipole, Da:	2.66
IP(EA), eV:	-9.35(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R)-4-butan-2-yloxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methylhexan-2-one

Drug info:

PubChemData

Smile

CNC(=O)N1CCC2=CC=CC=C2C1C3=CC=CC=C3

DOS

IR

Vibrations