Geometry & MOs

Info

ID:	268990
PubChem CID:	103604037
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	340.00587
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	5.72
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(C)COCCCNC1=C(N(C(=O)NC1=O)C)N

DOS

IR

Vibrations