Geometry & MOs

Info

ID:	330336
PubChem CID:	127247323
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	315.174691
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	1.75
IP(EA), eV:	-9.25(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations