Geometry & MOs

Info

ID:	293497
PubChem CID:	117391865
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	34.87
Dipole, Da:	3.84
IP(EA), eV:	-8.62(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-methylpyrazol-1-yl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

C1CC2=NC3=C(N2C1)C=C(C=C3)CC4CCNCC4

DOS

IR

Vibrations