Geometry & MOs

Info

ID:	311970
PubChem CID:	126600075
Reduced:	SO2N3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	188.200097
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	9.11
IP(EA), eV:	-9.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(5-aminopentyl)butane-1,2,3-triamine

Drug info:

PubChemData

Smile

C1CC(CC1CC(=O)O)C2=NN=C(S2)N

DOS

IR

Vibrations