Geometry & MOs

Info

ID:	397790
PubChem CID:	135030733
Reduced:	BrN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	390.074879
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	6.19
IP(EA), eV:	-9.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,9R)-13,13-dimethyl-12,14-dioxatetracyclo[7.5.2.01,11.03,8]hexadeca-3,5,7,15-tetraen-15-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(=O)N1CC(=CC1=O)C2=CNC3=C2C=C(C=C3)Br

DOS

IR

Vibrations