Geometry & MOs

Info

ID:	421242
PubChem CID:	135115638
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	3.5
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methylpyridin-2-yl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations