Geometry & MOs

Info

ID:	15322
PubChem CID:	438027
Reduced:	O9H26C29 (1)
Stoich.:	A9B26C29 (1)
Weight, g/mol:	518.157682
ΔH_f, kcal/mol:	-270.78
Dipole, Da:	11.72
IP(EA), eV:	-8.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1,4-dihydroxy-6-methoxy-5,8-bis(phenylmethoxy)naphthalene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C(=C1)OCC3=CC=CC=C3)C(=C(C(=C2O)C(=O)OC)C(=O)OC)O)OCC4=CC=CC=C4

DOS

IR

Vibrations