Geometry & MOs

Info

ID:	199495
PubChem CID:	79255621
Reduced:	ClNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	261.028059
ΔH_f, kcal/mol:	-136.82
Dipole, Da:	3.41
IP(EA), eV:	-9.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)S(=O)(=O)N[C@H](CO)C(C)C

DOS

IR

Vibrations