Geometry & MOs

Info

ID:	381115
PubChem CID:	134971762
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	416.336256
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	1.99
IP(EA), eV:	-9.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-aminobutyl)-N-[3-[3-(methylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CCO[C@@H]1C=CC(=NO1)C(=O)OCC

DOS

IR

Vibrations