Geometry & MOs

Info

ID:	165258
PubChem CID:	74522667
Reduced:	O2C10H17 (1)
Stoich.:	A2B10C17 (1)
Weight, g/mol:	372.20873
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	5.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789271
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CCCC(=CCC(C)C)C(=O)[O-]

DOS

IR

Vibrations