Geometry & MOs

Info

ID:	147811
PubChem CID:	53787469
Reduced:	BrO3C20H35 (1)
Stoich.:	AB3C20D35 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-191.35
Dipole, Da:	5.58
IP(EA), eV:	-10.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) N-methoxy-3-methylbenzenecarboximidate

Drug info:

PubChemData

Smile

CCCCCCC(C[C@H]1CCC[C@@H]1CCCCCC(=O)C(=O)O)Br

DOS

IR

Vibrations