Geometry & MOs

Info

ID:	184740
PubChem CID:	77201445
Reduced:	N3O5H17C22 (1)
Stoich.:	A3B5C17D22 (1)
Weight, g/mol:	570.230134
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	5.56
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;but-2-enedioic acid

Drug info:

PubChemData

Smile

COC=C(C1OCO1)C2=CC=CC=C2OC3=NC=NC(=C3)OC4=CC=CC=C4C#N

DOS

IR

Vibrations