Geometry & MOs

Info

ID:	132580
PubChem CID:	51382712
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	468.99546
ΔH_f, kcal/mol:	-94.76
Dipole, Da:	4.7
IP(EA), eV:	-9.76(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-methoxyphenolate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations