Geometry & MOs

Info

ID:	150723
PubChem CID:	53790418
Reduced:	FO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	157.065827
ΔH_f, kcal/mol:	-199.69
Dipole, Da:	3.78
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroethyl)-4-methyl-2,3-dihydropyridine

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC)F

DOS

IR

Vibrations