Geometry & MOs

Info

ID:	418100
PubChem CID:	135103586
Reduced:	O4N8C29H40 (1)
Stoich.:	A4B8C29D40 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-101.03
Dipole, Da:	7.07
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CCC4=C(N(N=C4C)C)C

DOS

IR

Vibrations