Geometry & MOs

Info

ID:	148978
PubChem CID:	53788649
Reduced:	NO3C28H31 (1)
Stoich.:	AB3C28D31 (1)
Weight, g/mol:	308.089603
ΔH_f, kcal/mol:	-77.83
Dipole, Da:	4.09
IP(EA), eV:	-9.25(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-methylchromen-2-one

Drug info:

PubChemData

Smile

C1CNC(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(=O)C4=CC=CC=C4O

DOS

IR

Vibrations