Geometry & MOs

Info

ID:	315468
PubChem CID:	126626893
Reduced:	ON3C8H14 (2)
Stoich.:	AB3C8D14 (2)
Weight, g/mol:	453.440661
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	4.26
IP(EA), eV:	-9.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-5-(methylamino)-6-[3-[4-(propylamino)butylamino]propylamino]hept-6-enyl]octanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N[C@H](CCCCN)C(=O)NCNCNCN

DOS

IR

Vibrations