Geometry & MOs

Info

ID:	43740
PubChem CID:	10321724
Reduced:	NCl2O2H25C26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	454.147982
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	4.82
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4OC3

DOS

IR

Vibrations