Geometry & MOs

Info

ID:	361657
PubChem CID:	127303989
Reduced:	O2F3N5C17H22 (1)
Stoich.:	A2B3C5D17E22 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-196.8
Dipole, Da:	8.02
IP(EA), eV:	-9.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4CCC(NC4=O)C(F)(F)F

DOS

IR

Vibrations