Geometry & MOs

Info

ID:	163928
PubChem CID:	74380860
Reduced:	ClO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	536.273381
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	5.85
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)N4CC5CCCN5C4=O.Cl

DOS

IR

Vibrations