Geometry & MOs

Info

ID:	285967
PubChem CID:	104142493
Reduced:	ClN4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	297.079953
ΔH_f, kcal/mol:	84.2
Dipole, Da:	3.72
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(chloromethyl)-6-(4-chloro-3-methylpyrazol-1-yl)pyridine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)CCl)N2C3=CC=CC=C3N=N2

DOS

IR

Vibrations