Geometry & MOs

Info

ID:	223946
PubChem CID:	85336228
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	384.164934
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	9.75
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-1-(2-fluoropyridin-3-yl)-3-(3-methoxy-1-azabicyclo[2.2.2]octan-3-yl)prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)NC(=O)C2=C(N=CC=C2)NCC3C=CC(=O)N=C3

DOS

IR

Vibrations