Geometry & MOs

Info

ID:	150205
PubChem CID:	53789892
Reduced:	N3O7C19H25 (1)
Stoich.:	A3B7C19D25 (1)
Weight, g/mol:	187.079727
ΔH_f, kcal/mol:	-291.0
Dipole, Da:	4.32
IP(EA), eV:	-8.94(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methylidene]-4H-pyridine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H]([C@@H](C)OC)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations