Geometry & MOs

Info

ID:	228209
PubChem CID:	87563668
Reduced:	BrNO3C7H12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	3.99
IP(EA), eV:	-10.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(3-ethyloxiran-2-yl)phenyl]benzoate

Drug info:

PubChemData

Smile

CC(CBr)[C@H](C(=O)C)NC(=O)O

DOS

IR

Vibrations