Geometry & MOs

Info

ID:	294445
PubChem CID:	117461458
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	286.084124
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	3.8
IP(EA), eV:	-8.96(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxy-2-phenylmethoxyphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=CC(=C1)Br)C(C)(C)N)O

DOS

IR

Vibrations