Geometry & MOs

Info

ID:	342340
PubChem CID:	127265158
Reduced:	N5C17H17 (1)
Stoich.:	A5B17C17 (1)
Weight, g/mol:	285.164126
ΔH_f, kcal/mol:	133.28
Dipole, Da:	3.58
IP(EA), eV:	-8.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)prop-2-enyl]-4-pyrazol-1-ylpiperidine

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CNC2=CN(N=C2)C3=NC=CC=N3

DOS

IR

Vibrations