Geometry & MOs

Info

ID:	208567
PubChem CID:	80546282
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-63.51
Dipole, Da:	2.87
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CNC1=CC=CC=C1Cl

DOS

IR

Vibrations