Geometry & MOs

Info

ID:	182407
PubChem CID:	76886740
Reduced:	O3N5C10H16 (1)
Stoich.:	A3B5C10D16 (1)
Weight, g/mol:	298.200491
ΔH_f, kcal/mol:	-65.93
Dipole, Da:	1.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.871503
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-(2-cyclopentyloxyethylamino)-1-propyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)N=C1C(=O)N(C(=O)[N+](=N1)C)C

DOS

IR

Vibrations