Geometry & MOs

Info

ID:	355745
PubChem CID:	127290597
Reduced:	F2O3N4C18H20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	350.130967
ΔH_f, kcal/mol:	-164.62
Dipole, Da:	5.53
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)CC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations