Geometry & MOs

Info

ID:	217508
PubChem CID:	85087919
Reduced:	O6C21H22 (1)
Stoich.:	A6B21C22 (1)
Weight, g/mol:	370.141638
ΔH_f, kcal/mol:	-172.41
Dipole, Da:	5.06
IP(EA), eV:	-8.22(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenylmethoxy-8-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCC(=CC3=CC(=C(C=C3O)OC)OC)C2=O)OC

DOS

IR

Vibrations