Geometry & MOs

Info

ID:	417590
PubChem CID:	135102170
Reduced:	SO6N10C37H46 (1)
Stoich.:	AB6C10D37E46 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-165.44
Dipole, Da:	10.82
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CN=C(C=C5)N)C

DOS

IR

Vibrations