Geometry & MOs

Info

ID:	198861
PubChem CID:	79163725
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	326.022498
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	3.71
IP(EA), eV:	-8.87(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-[(2-chloro-6-nitrophenyl)methoxy]-6-methylpyridine

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NC2CC2N

DOS

IR

Vibrations