Geometry & MOs

Info

ID:	46206
PubChem CID:	10523160
Reduced:	O7H18C20 (1)
Stoich.:	A7B18C20 (1)
Weight, g/mol:	370.141638
ΔH_f, kcal/mol:	-231.66
Dipole, Da:	2.54
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-3-(2-oxopropyl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1CC(=O)[C@@]2(C(=C[C@@H]([C@@H](C23OC4=CC=CC5=C4C(=CC=C5)O3)O)O)[C@H]1O)O

DOS

IR

Vibrations