Geometry & MOs

Info

ID:	285057
PubChem CID:	104094067
Reduced:	ClN6C9H13 (1)
Stoich.:	AB6C9D13 (1)
Weight, g/mol:	280.109089
ΔH_f, kcal/mol:	85.32
Dipole, Da:	2.26
IP(EA), eV:	-10.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-chloropropyl)triazol-1-yl]methyl]-4-methoxy-6-methylpyridine

Drug info:

PubChemData

Smile

CN1C=NN=C1CN2C=C(N=N2)CCCCl

DOS

IR

Vibrations