Geometry & MOs

Info

ID:	187245
PubChem CID:	77549801
Reduced:	BrFNO2H15C17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	481.175979
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	2.03
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazolidin-4-yl-8-[[(5-pyrimidin-2-ylpyridin-2-yl)amino]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(C(CO)O)N2C=CC3=C2C=CC(=C3)Br

DOS

IR

Vibrations