Geometry & MOs

Info

ID:	32547
PubChem CID:	7843052
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	387.01062
ΔH_f, kcal/mol:	-144.4
Dipole, Da:	2.93
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)COC(=O)COC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations