Geometry & MOs

Info

ID:	259806
PubChem CID:	103175220
Reduced:	ClNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	1.15
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(chloromethyl)-2,5-dimethylpyrazol-3-yl]oxy-2-ethyl-6-methylpyridine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=CC(=C(C=C2)CCl)C

DOS

IR

Vibrations