Geometry & MOs

Info

ID:	355746
PubChem CID:	127290598
Reduced:	ClFON4C17H20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	346.156039
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	3.23
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations