Geometry & MOs

Info

ID:	327768
PubChem CID:	126691030
Reduced:	O4C19H19 (2)
Stoich.:	A4B19C19 (2)
Weight, g/mol:	462.146724
ΔH_f, kcal/mol:	-218.53
Dipole, Da:	2.05
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-methoxycarbonyl-5-phenoxyphenyl)anthracene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=CC(=C2)OC3=CC(=C(C=C3)C4(OCCCCO4)C5=CC=CC=C5O)O)C=C1)C(C6=CC=CC=C6)(OC)OC

DOS

IR

Vibrations