Geometry & MOs

Info

ID:	164180
PubChem CID:	74382218
Reduced:	FO2N6C21H27 (1)
Stoich.:	AB2C6D21E27 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-44.45
Dipole, Da:	6.54
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[(5-phenylpyrazolidin-3-yl)amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

C1CC2(CCC1CNC3=NN(C=C3)C4=CC=CC=C4F)CN(C(=O)O2)C5CNNC5

DOS

IR

Vibrations