Geometry & MOs

Info

ID:	183317
PubChem CID:	77006090
Reduced:	BrF2N2O2H9C11 (1)
Stoich.:	AB2C2D2E9F11 (1)
Weight, g/mol:	283.119988
ΔH_f, kcal/mol:	-154.81
Dipole, Da:	3.03
IP(EA), eV:	-10.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrazolo[3,4-c]pyrazol-4-amine

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC2=C(C=C(C=C2)F)F)Br

DOS

IR

Vibrations