Geometry & MOs

Info

ID:	50479
PubChem CID:	12013020
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	1079.497233
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	4.15
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diphenyl-[(2R,3R,10R,11R)-3,10,11-tris[hydroxy(diphenyl)methyl]-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradecan-2-yl]methanol;1-(2-methylpropyl)pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)CN1C=CC=CC1=O

DOS

IR

Vibrations