Geometry & MOs

Info

ID:	156513
PubChem CID:	56370935
Reduced:	NO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-139.31
Dipole, Da:	4.86
IP(EA), eV:	-8.25(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1CCC2=CC(=C(C=C2)OC)OC)OCC3=CC=CC=C3

DOS

IR

Vibrations