Geometry & MOs

Info

ID:	28121
PubChem CID:	825717
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	2.92
IP(EA), eV:	-8.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,9R)-5,5,9,11,11-pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)N=CC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations