Geometry & MOs

Info

ID:	434261
PubChem CID:	135174551
Reduced:	PO4N6C26H33 (1)
Stoich.:	AB4C6D26E33 (1)
Weight, g/mol:	386.387229
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	4.79
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(tert-butylamino)ethoxy]-2,5-dimethyl-N-[5-[(2-methylpropan-2-yl)oxy]pentyl]hexan-2-amine

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(NC(C)(C)COCC3=CC=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations