Geometry & MOs

Info

ID:	35604
PubChem CID:	7980090
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	311.01571
ΔH_f, kcal/mol:	-94.26
Dipole, Da:	5.45
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromoanilino)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations