Geometry & MOs

Info

ID:	26123
PubChem CID:	639068
Reduced:	ClFNO3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-148.66
Dipole, Da:	7.43
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(E)-2-phenylethenyl]-6-(propan-2-ylamino)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1C=CC(=C2Cl)F)C(=O)OCC

DOS

IR

Vibrations