Geometry & MOs

Info

ID:	183855
PubChem CID:	77081833
Reduced:	SN4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	320.257612
ΔH_f, kcal/mol:	65.82
Dipole, Da:	3.71
IP(EA), eV:	-8.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CN(CC1CCN(C1)C2=CC=CC=C2)CC3=CN=C(N=C3)SC

DOS

IR

Vibrations