Geometry & MOs

Info

ID:	164179
PubChem CID:	74382217
Reduced:	N3O5C20H26 (2)
Stoich.:	A3B5C20D26 (2)
Weight, g/mol:	414.217952
ΔH_f, kcal/mol:	-240.56
Dipole, Da:	10.3
IP(EA), eV:	-8.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]-3-pyrazolidin-4-yl-1-oxa-3-azaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC(=O)CCCCCCC(=O)NO)OCC2=CC=C(C=C2)COC3=C(C=C(C=C3)C=NNC(=O)CCCCCCC(=O)NO)OC

DOS

IR

Vibrations