Geometry & MOs

Info

ID:	399946
PubChem CID:	135044097
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	296.07758
ΔH_f, kcal/mol:	1.85
Dipole, Da:	3.95
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,7R)-10-bromo-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one

Drug info:

PubChemData

Smile

CN1C=CN([C]1)C2=C(C=CC=C2OC)OC

DOS

IR

Vibrations