Geometry & MOs

Info

ID:	285969
PubChem CID:	104142558
Reduced:	ClN4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	291.150225
ΔH_f, kcal/mol:	23.96
Dipole, Da:	2.27
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-2-(3,5-diethylpyrazol-1-yl)-6-propylpyridine

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=CC(=CC(=N2)C(C)(C)C)CCl

DOS

IR

Vibrations