Geometry & MOs

Info

ID:	446228
PubChem CID:	135273289
Reduced:	FN6O6H41C42 (1)
Stoich.:	AB6C6D41E42 (1)
Weight, g/mol:	154.047738
ΔH_f, kcal/mol:	-155.84
Dipole, Da:	8.95
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(hydroxymethoxy)ethane-1,1-diol

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)O)[C@@H]([C@@H]1C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCCN5CCN(CC5)C6=NC=C(C=C6)OC7=CC(=O)N(N=C7)C8CCC(=O)NC8=O

DOS

IR

Vibrations