Geometry & MOs

Info

ID:	404210
PubChem CID:	135065433
Reduced:	ClN4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	311.118925
ΔH_f, kcal/mol:	77.86
Dipole, Da:	7.43
IP(EA), eV:	-8.55(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chlorophenyl)-1-methyl-5-propylpyrazol-4-yl]pyridine

Drug info:

PubChemData

Smile

CCCC1=C(C(=NN1C)C2=CC=C(C=C2)Cl)C3=CN(N=C3)C

DOS

IR

Vibrations