Geometry & MOs

Info

ID:	181995
PubChem CID:	76824171
Reduced:	NOH19C23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	462.224261
ΔH_f, kcal/mol:	58.69
Dipole, Da:	2.7
IP(EA), eV:	-8.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-[4-(2-aminoethoxy)-2,3-dimethylphenyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)C1=CCN(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations