Geometry & MOs

Info

ID:	393779
PubChem CID:	135021677
Reduced:	SO2N3H31C33 (1)
Stoich.:	AB2C3D31E33 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	31.11
Dipole, Da:	3.38
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-azabicyclo[3.3.1]non-2-en-1-ol

Drug info:

PubChemData

Smile

C1CN2C(C(C3=CC=CC=C31)SC4=CC=CC=C4)C5=NC(=C(C=C5C2=O)N6CCOCC6)CC7=CC=CC=C7

DOS

IR

Vibrations