Geometry & MOs

Info

ID:	160072
PubChem CID:	57304608
Reduced:	PN2O8C13H16 (1)
Stoich.:	AB2C8D13E16 (1)
Weight, g/mol:	272.989424
ΔH_f, kcal/mol:	-268.07
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759437
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(4-chloro-1-ethylsulfanylpyrazol-3-yl)pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CO[P+](=O)OC(=O)CCC(CC(=O)O)N)[N+](=O)[O-]

DOS

IR

Vibrations