Geometry & MOs

Info

ID:	72973
PubChem CID:	48416750
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	403.181981
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	9.2
IP(EA), eV:	-8.93(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations