Geometry & MOs

Info

ID:	46725
PubChem CID:	10526682
Reduced:	O2N3C27H33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	431.322003
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	3.65
IP(EA), eV:	-9.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-aminopropylamino)butyl]-N'-[6-(diaminomethylideneamino)hexyl]-2,2-bis(hydroxymethyl)propanediamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)CCC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations