Geometry & MOs

Info

ID:	415814
PubChem CID:	135088815
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	5.51
IP(EA), eV:	-9.15(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C=CC=N2)CN3CCN(C(=O)C3)CC(=O)O

DOS

IR

Vibrations