Geometry & MOs

Info

ID:	397733
PubChem CID:	135030644
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	453.181919
ΔH_f, kcal/mol:	-11.69
Dipole, Da:	2.93
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3O2)N

DOS

IR

Vibrations