Geometry & MOs

Info

ID:	423559
PubChem CID:	135119741
Reduced:	O7N8C45H54 (1)
Stoich.:	A7B8C45D54 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-215.55
Dipole, Da:	9.51
IP(EA), eV:	-8.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine

Drug info:

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=CC(=C5)C#N)C(C)C

DOS

IR

Vibrations