Geometry & MOs

Info

ID:	223599
PubChem CID:	85335293
Reduced:	N5O7C20H29 (1)
Stoich.:	A5B7C20D29 (1)
Weight, g/mol:	451.187147
ΔH_f, kcal/mol:	-289.96
Dipole, Da:	3.4
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)NC(CNC(=O)C1=C(C=C(C=C1)OCCNC2=NCCCN2)O)C(=O)O

DOS

IR

Vibrations