Geometry & MOs

Info

ID:	419533
PubChem CID:	135108381
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-20.88
Dipole, Da:	3.09
IP(EA), eV:	-8.37(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)NCC2CC3(CCNCC3)CO2

DOS

IR

Vibrations