Geometry & MOs

Info

ID:	164578
PubChem CID:	74418910
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	495.270877
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	3.9
IP(EA), eV:	-8.42(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(cyclopentanecarbonyl)-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl]piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CCN(CC)CCC1CN(CCC1CC(=O)O)C(=O)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations