Geometry & MOs

Info

ID:	325729
PubChem CID:	126684674
Reduced:	NSO6C28H39 (1)
Stoich.:	ABC6D28E39 (1)
Weight, g/mol:	177.15175
ΔH_f, kcal/mol:	-270.61
Dipole, Da:	4.94
IP(EA), eV:	-8.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexyl-5-methylpyridine

Drug info:

PubChemData

Smile

CCCCCCC1=CSC(=C1)CCC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations