Geometry & MOs

Info

ID:	177137
PubChem CID:	76139920
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	230.210661
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	3.64
IP(EA), eV:	-9.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-N-[1-(dimethylamino)propyl]hexanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)N)OC(=O)C(CS)N

DOS

IR

Vibrations