Geometry & MOs

Info

ID:	321864
PubChem CID:	126667093
Reduced:	ON8C24H28 (1)
Stoich.:	AB8C24D28 (1)
Weight, g/mol:	288.157288
ΔH_f, kcal/mol:	87.15
Dipole, Da:	6.6
IP(EA), eV:	-7.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2,3-dimethylbutyl) 6-hydroxy-6-methyl-4,5-dioxoheptanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2N)NC3=NC=CC(=N3)C4=CN(C5=C4N=CC=C5)C)OC

DOS

IR

Vibrations