Geometry & MOs

Info

ID:	288707
PubChem CID:	104324086
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	283.119988
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	6.31
IP(EA), eV:	-8.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CNC1=CC(=CC(=C1)[N+](=O)[O-])N2CC3CCC(C3C2)O

DOS

IR

Vibrations