Geometry & MOs

Info

ID:	184965
PubChem CID:	77235836
Reduced:	F2O2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	490.236876
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	6.66
IP(EA), eV:	-9.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-3'-(cyclohexylmethyl)-5-oxo-2'-phenylspiro[1H-imidazole-4,4'-2,3-dihydrochromene]-6'-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)N(C3C4C3C5=C(C=CC(=C5OC4)F)F)C(=O)N

DOS

IR

Vibrations