Geometry & MOs

Info

ID:	85185
PubChem CID:	49872245
Reduced:	FON8H21C24 (1)
Stoich.:	ABC8D21E24 (1)
Weight, g/mol:	321.108897
ΔH_f, kcal/mol:	69.33
Dipole, Da:	4.35
IP(EA), eV:	-8.95(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethyl)-4-fluorophenyl]-3-(4-methylpyridin-3-yl)imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C1=NC2=C(C=C(C=C2)F)C(=C1C3=CC=CC=N3)N4CC(C4)O)NC5=NC=NC(=C5C#N)N

DOS

IR

Vibrations