Geometry & MOs

Info

ID:	164265
PubChem CID:	74382670
Reduced:	O2C16H27 (2)
Stoich.:	A2B16C27 (2)
Weight, g/mol:	374.100168
ΔH_f, kcal/mol:	-200.03
Dipole, Da:	5.1
IP(EA), eV:	-8.63(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,7-trihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CCCCC12C(=C(C(C=C1CCC(O2)(C)CCCC(C)CCCC(=CCCC(C)C(=O)O)C)O)C)C

DOS

IR

Vibrations