Geometry & MOs

Info

ID:	157713
PubChem CID:	56436648
Reduced:	FN4C27H27 (1)
Stoich.:	AB4C27D27 (1)
Weight, g/mol:	457.284161
ΔH_f, kcal/mol:	64.78
Dipole, Da:	1.93
IP(EA), eV:	-8.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-cyclohexylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)CNCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations