Geometry & MOs

Info

ID:	49102
PubChem CID:	11528712
Reduced:	ON4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	228.106277
ΔH_f, kcal/mol:	23.54
Dipole, Da:	5.59
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]-4H-pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC3C=NNC(=O)N3

DOS

IR

Vibrations