Geometry & MOs

Info

ID:	399864
PubChem CID:	135043320
Reduced:	OC11H24 (1)
Stoich.:	AB11C24 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	2.02
IP(EA), eV:	-10.13(2.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16R)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene

Drug info:

PubChemData

Smile

CC(C)C[C@H](CC(C)C(C)C)O

DOS

IR

Vibrations