Geometry & MOs

Info

ID:	203250
PubChem CID:	79799249
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	316.92768
ΔH_f, kcal/mol:	-163.63
Dipole, Da:	6.49
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromothiophen-2-yl)methoxy]-2-(chloromethyl)pyridine

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)NC1=CC=CC=C1OCC

DOS

IR

Vibrations