Geometry & MOs

Info

ID:	327812
PubChem CID:	126691098
Reduced:	FN4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	423.187067
ΔH_f, kcal/mol:	20.49
Dipole, Da:	6.14
IP(EA), eV:	-8.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,2-difluorocyclohexyl)-5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]-4-(methylideneamino)benzonitrile

Drug info:

PubChemData

Smile

C1CC(C[C@@H]1F)NC2=C3C=C(C=CC3=NC=C2N)C#N

DOS

IR

Vibrations