Geometry & MOs

Info

ID:	169408
PubChem CID:	75101777
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	539.216254
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	3.31
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=O)C(C=C1)C(=O)N2CCC(C2)COC

DOS

IR

Vibrations