Geometry & MOs

Info

ID:	380087
PubChem CID:	134964916
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	219.1987
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	3.56
IP(EA), eV:	-9.82(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene

Drug info:

PubChemData

Smile

CC[C@@]1(CCCC(=O)C1)C#CC(C)(C)C

DOS

IR

Vibrations