Geometry & MOs

Info

ID:	226723
PubChem CID:	87557843
Reduced:	N2F3O5C27H36 (1)
Stoich.:	A2B3C5D27E36 (1)
Weight, g/mol:	373.95513
ΔH_f, kcal/mol:	-332.05
Dipole, Da:	13.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754569
Charge, e:	0

Chem-info

IUPAC name:

3,3-dibromo-2,2-diethylheptanedioic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)CCC2=CC=C(O2)C(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C

DOS

IR

Vibrations