Geometry & MOs

Info

ID:	423873
PubChem CID:	135120560
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	19.86
Dipole, Da:	4.96
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S,5R)-7-oxo-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=C5C=CN(C5=CC=C4)C

DOS

IR

Vibrations