Geometry & MOs

Info

ID:	245809
PubChem CID:	103024035
Reduced:	N2O2F3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-181.38
Dipole, Da:	4.19
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations