Geometry & MOs

Info

ID:	217876
PubChem CID:	85088523
Reduced:	N2O7C20H28 (1)
Stoich.:	A2B7C20D28 (1)
Weight, g/mol:	408.193674
ΔH_f, kcal/mol:	-271.27
Dipole, Da:	3.28
IP(EA), eV:	-8.74(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)OC2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations