Geometry & MOs

Info

ID:	416748
PubChem CID:	135090281
Reduced:	SN2O2C22H30 (1)
Stoich.:	AB2C2D22E30 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	2.36
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CSC(=C2)CN3CCO[C@@H]([C@H]3C4=CC=CC=C4)CO

DOS

IR

Vibrations