Geometry & MOs

Info

ID:	344258
PubChem CID:	127267434
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	3.77
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpent-4-en-1-one

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CN=CN3C

DOS

IR

Vibrations