Geometry & MOs

Info

ID:	64460
PubChem CID:	29200720
Reduced:	N4O7C21H24 (1)
Stoich.:	A4B7C21D24 (1)
Weight, g/mol:	336.12407
ΔH_f, kcal/mol:	-170.0
Dipole, Da:	6.92
IP(EA), eV:	-8.74(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[3-[(2R)-2-ethylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

DOS

IR

Vibrations