Geometry & MOs

Info

ID:	82887
PubChem CID:	49856751
Reduced:	N2O7C21H22 (1)
Stoich.:	A2B7C21D22 (1)
Weight, g/mol:	299.99972
ΔH_f, kcal/mol:	-241.58
Dipole, Da:	4.89
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-8-hydroxy-7-methoxy-2,2-dimethyl-3H-chromen-4-one

Drug info:

PubChemData

Smile

CN1[C@@H]([C@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CC=C3NC(=O)OC

DOS

IR

Vibrations