Geometry & MOs

Info

ID:	148250
PubChem CID:	53787912
Reduced:	N2O2C29H42 (1)
Stoich.:	A2B2C29D42 (1)
Weight, g/mol:	303.162314
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	3.16
IP(EA), eV:	-8.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-phenylethynyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC1=CC=CC=C1NC(=O)C=CC2=CC=C(C=C2)O

DOS

IR

Vibrations