Geometry & MOs

Info

ID:	188743
PubChem CID:	77760638
Reduced:	O2N6C29H38 (1)
Stoich.:	A2B6C29D38 (1)
Weight, g/mol:	330.146724
ΔH_f, kcal/mol:	32.11
Dipole, Da:	2.11
IP(EA), eV:	-8.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2,3-bis(4-methylphenyl)oxolane-2,3,4-triol

Drug info:

PubChemData

Smile

CCCCCCN1N=C(N=N1)C2=CC=C(C=C2)C3=NC4CCN(CC4C5=CC(=C(C=C53)OC)OCC)C

DOS

IR

Vibrations