Geometry & MOs

Info

ID:	404786
PubChem CID:	135070919
Reduced:	BrNO5H26C27 (1)
Stoich.:	ABC5D26E27 (1)
Weight, g/mol:	372.120903
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	2.95
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3,4-dihydroxy-2-methoxyphenyl)-6-methyl-2-oxo-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)C4=CC(=C(C(=C4)Br)OC)OC

DOS

IR

Vibrations