Geometry & MOs

Info

ID:	427142
PubChem CID:	135155693
Reduced:	FO2N6H23C29 (1)
Stoich.:	AB2C6D23E29 (1)
Weight, g/mol:	303.099475
ΔH_f, kcal/mol:	33.32
Dipole, Da:	4.41
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-fluorophenyl)-4-(4,4,4-trifluorobutyl)-4H-imidazol-5-one

Drug info:

PubChemData

Smile

C1C2=CN=CN=C2CN1C(=O)C3=CC(=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6)F

DOS

IR

Vibrations