Geometry & MOs

Info

ID:	72969
PubChem CID:	48416745
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	415.181981
ΔH_f, kcal/mol:	-152.28
Dipole, Da:	5.31
IP(EA), eV:	-9.21(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)OCC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations