Geometry & MOs

Info

ID:	58532
PubChem CID:	24702260
Reduced:	N2O2C11H22 (1)
Stoich.:	A2B2C11D22 (1)
Weight, g/mol:	333.00006
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	3.36
IP(EA), eV:	-9.04(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromobenzoyl)amino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CCC1CCCCC1OCC/C(=N/O)/N

DOS

IR

Vibrations