Geometry & MOs

Info

ID:	382213
PubChem CID:	134973211
Reduced:	NO9C24H37 (1)
Stoich.:	AB9C24D37 (1)
Weight, g/mol:	359.99972
ΔH_f, kcal/mol:	-402.8
Dipole, Da:	5.11
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-bromo-5-methoxyphenyl)methoxy]chromen-2-one

Drug info:

PubChemData

Smile

CC(=O)N[C@H]([C@H](CC(=C)C(=O)OC(C)(C)C)O)[C@H]([C@@H]([C@@H](CO)O)O)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations