Geometry & MOs

Info

ID:	263358
PubChem CID:	103358982
Reduced:	O3N5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	238.125218
ΔH_f, kcal/mol:	-44.13
Dipole, Da:	1.74
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-thiazol-3-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)N2CCC(C2)(C)O)[N+](=O)[O-]

DOS

IR

Vibrations