Geometry & MOs

Info

ID:	187213
PubChem CID:	77545168
Reduced:	Cl2N2O6C35H42 (1)
Stoich.:	A2B2C6D35E42 (1)
Weight, g/mol:	488.322578
ΔH_f, kcal/mol:	-229.74
Dipole, Da:	5.65
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidin-3-yl]-5-methoxy-1-[3-(trifluoromethoxy)phenyl]pentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CNC(=O)O)C3=C(C=C(C=C3)C4C(NCCC4=O)CCCOC)C)Cl

DOS

IR

Vibrations