Geometry & MOs

Info

ID:	415961
PubChem CID:	135088966
Reduced:	O5N7C34H49 (1)
Stoich.:	A5B7C34D49 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-211.72
Dipole, Da:	8.21
IP(EA), eV:	-9.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)C3=C(NN=C3)C4CCCCC4

DOS

IR

Vibrations