Geometry & MOs

Info

ID:	206248
PubChem CID:	80223294
Reduced:	ClON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	265.09819
ΔH_f, kcal/mol:	18.83
Dipole, Da:	4.52
IP(EA), eV:	-9.15(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)C(=O)CC2=C(C=CN=C2)N

DOS

IR

Vibrations