Geometry & MOs

Info

ID:	254056
PubChem CID:	103122433
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	253.09819
ΔH_f, kcal/mol:	94.63
Dipole, Da:	7.6
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=C4C=CC=CN4N=C3)Cl

DOS

IR

Vibrations