Geometry & MOs

Info

ID:	206254
PubChem CID:	80223401
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	4.3
IP(EA), eV:	-9.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CCC(C2=NC=C(C=C2)Cl)O

DOS

IR

Vibrations