Geometry & MOs

Info

ID:	309210
PubChem CID:	126540339
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	564.367556
ΔH_f, kcal/mol:	0.81
Dipole, Da:	5.48
IP(EA), eV:	-9.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylhexyl)-N'-[4-[[4-[[2-(2-ethylhexylamino)-2-oxoacetyl]amino]phenyl]methyl]phenyl]oxamide

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2COC1=O)N[C@@H](C)C3=CC=C(C=C3)CN4CC5(C4)CNC5

DOS

IR

Vibrations