Geometry & MOs

Info

ID:	13474
PubChem CID:	235241
Reduced:	O7C20H24 (1)
Stoich.:	A7B20C24 (1)
Weight, g/mol:	376.152203
ΔH_f, kcal/mol:	-265.12
Dipole, Da:	4.11
IP(EA), eV:	-8.41(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(C(C(CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations