Geometry & MOs

Info

ID:	296815
PubChem CID:	117594560
Reduced:	O8H28C33 (1)
Stoich.:	A8B28C33 (1)
Weight, g/mol:	495.189317
ΔH_f, kcal/mol:	-158.84
Dipole, Da:	4.32
IP(EA), eV:	-8.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O.COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2

DOS

IR

Vibrations