Geometry & MOs

Info

ID:	327731
PubChem CID:	126690917
Reduced:	ClO2N4C8H13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	311.147449
ΔH_f, kcal/mol:	-39.41
Dipole, Da:	5.61
IP(EA), eV:	-9.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-3-[(E)-1-(2,2,3,3-tetramethylbutylsulfanyl)prop-1-enyl]pyridine

Drug info:

PubChemData

Smile

CC[C@H](C(=O)ON)NC1=CC=NC(N1)Cl

DOS

IR

Vibrations