Geometry & MOs

Info

ID:	72574
PubChem CID:	48416320
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	6.26
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)N5CCNC5=O

DOS

IR

Vibrations