Geometry & MOs

Info

ID:	293143
PubChem CID:	117374927
Reduced:	ClFO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	-162.47
Dipole, Da:	3.77
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-pyrazol-1-ylphenyl)butanal

Drug info:

PubChemData

Smile

CC(CO)C1=CC(=C(C(=C1OC)OC)F)Cl

DOS

IR

Vibrations