Geometry & MOs

Info

ID:	407625
PubChem CID:	135080374
Reduced:	O2H14C15 (1)
Stoich.:	A2B14C15 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-9.4
Dipole, Da:	3.75
IP(EA), eV:	-9.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-one

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CC(=O)C#CC2=CC=CC=C2

DOS

IR

Vibrations