Geometry & MOs

Info

ID:	369660
PubChem CID:	127334990
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	7.1
IP(EA), eV:	-9.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC(=CC=C3)NC(=O)C4CC5=CC=CC=C5O4)O

DOS

IR

Vibrations