Geometry & MOs

Info

ID:	418558
PubChem CID:	135105768
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-143.58
Dipole, Da:	4.17
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCCCN(C2)CC(=O)NCC3CCCO3

DOS

IR

Vibrations