Geometry & MOs

Info

ID:	126143
PubChem CID:	50953077
Reduced:	ClFON4C15H18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	5.15
IP(EA), eV:	-9.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

CC(CCN1C=CC=N1)NCC(=O)NC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations