Geometry & MOs

Info

ID:	72872
PubChem CID:	48416636
Reduced:	ClO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	405.136781
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	8.21
IP(EA), eV:	-9.25(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCCC(C3)N4CCNC4=O)Cl

DOS

IR

Vibrations