Geometry & MOs

Info

ID:	314343
PubChem CID:	126621604
Reduced:	ON3H33C53 (1)
Stoich.:	AB3C33D53 (1)
Weight, g/mol:	243.267448
ΔH_f, kcal/mol:	219.97
Dipole, Da:	4.08
IP(EA), eV:	-7.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[methyl(propan-2-yl)amino]propyl]-N-propylbutane-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=CN=CC=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86)C9=C2C=C1C(=C9)C=CC2=C1C1=CC=CC=C1O2

DOS

IR

Vibrations