Geometry & MOs

Info

ID:	227372
PubChem CID:	87561557
Reduced:	N3O6C21H23 (1)
Stoich.:	A3B6C21D23 (1)
Weight, g/mol:	530.200412
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	4.8
IP(EA), eV:	-10.01(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[1-(3-phenyloxan-4-yl)piperidin-3-yl]-4,6-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations