Geometry & MOs

Info

ID:	133731
PubChem CID:	51584066
Reduced:	O2N3C23H39 (1)
Stoich.:	A2B3C23D39 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-72.9
Dipole, Da:	3.22
IP(EA), eV:	-8.35(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5S)-3-(2-methylpropanoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-6-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(CN1CC2=C(C=CC(=C2)OC)O[C@@]3(C1)CCCN(CC3)C)CN(C)C

DOS

IR

Vibrations