Geometry & MOs

Info

ID:	72905
PubChem CID:	48416669
Reduced:	F2N3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-245.19
Dipole, Da:	6.57
IP(EA), eV:	-9.1(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)N3CCNC3=O)OC(F)F

DOS

IR

Vibrations