Geometry & MOs

Info

ID:	190232
PubChem CID:	77973391
Reduced:	Cl2O3N4C28H34 (1)
Stoich.:	A2B3C4D28E34 (1)
Weight, g/mol:	245.123821
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	6.02
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-methylpentan-2-yl)thiophen-2-yl]pyridine

Drug info:

PubChemData

Smile

CC=CC(=NNCC1=C(C=CC(=C1)Cl)OCC2CCCCO2)N3CCN(CC3=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations