Geometry & MOs

Info

ID:	374277
PubChem CID:	131326089
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	269.98916
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	7.33
IP(EA), eV:	-8.75(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-4-propanoylbenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NNC2=CC(=O)C=CC2=C1N

DOS

IR

Vibrations