Geometry & MOs

Info

ID:	422973
PubChem CID:	135118710
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	1.09
IP(EA), eV:	-9.32(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-6-propyl-3-[(3-pyrazol-1-ylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC4=C(C=C3)N=C(S4)C

DOS

IR

Vibrations