Geometry & MOs

Info

ID:	378259
PubChem CID:	134224335
Reduced:	NOH17C22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	282.146724
ΔH_f, kcal/mol:	69.41
Dipole, Da:	5.54
IP(EA), eV:	-9.19(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-hydroxycyclohepta-1,3,5-trien-1-yl)ethoxy]-6-(hydroxymethyl)oxan-4-ol

Drug info:

PubChemData

Smile

C=C(CC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3C2)C4=CC=CC=C4

DOS

IR

Vibrations