Geometry & MOs

Info

ID:	182311
PubChem CID:	76873981
Reduced:	O2N4C13H21 (1)
Stoich.:	A2B4C13D21 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.850103
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-methyl-5-(3-phenoxypropylamino)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC[N+]1=C(C(=NC(C)C2CC2)C(=O)N(C1=O)C)N

DOS

IR

Vibrations