Geometry & MOs

Info

ID:	423549
PubChem CID:	135119715
Reduced:	O6N7C33H49 (1)
Stoich.:	A6B7C33D49 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-240.4
Dipole, Da:	6.36
IP(EA), eV:	-8.91(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-1-yl-2-[4-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCC3=CC=NN3C)C(C)C

DOS

IR

Vibrations