Geometry & MOs

Info

ID:	72958
PubChem CID:	48416727
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	415.177503
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	6.49
IP(EA), eV:	-9.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations