Geometry & MOs

Info

ID:	326237
PubChem CID:	126687215
Reduced:	ClO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	166.090627
ΔH_f, kcal/mol:	-45.96
Dipole, Da:	4.67
IP(EA), eV:	-8.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-fluoro-2-methylpyridin-3-yl)prop-1-en-1-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1N[C@H]2CCCC[C@@H]2C(=O)OCC)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations