Geometry & MOs

Info

ID:	179595
PubChem CID:	76507910
Reduced:	NOC11H16 (2)
Stoich.:	ABC11D16 (2)
Weight, g/mol:	448.100561
ΔH_f, kcal/mol:	-36.43
Dipole, Da:	3.21
IP(EA), eV:	-8.5(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,7-trihydroxy-2-[4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]chromen-4-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(CONC2=CCCCC2=CC3=CC=CC=C3)O

DOS

IR

Vibrations