Geometry & MOs

Info

ID:	33104
PubChem CID:	7851334
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-221.48
Dipole, Da:	3.29
IP(EA), eV:	-9.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromoanilino)-2-oxoethyl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C)C(=O)C1=C(C(=C(N1)C)C(=O)OC)C

DOS

IR

Vibrations