Geometry & MOs

Info

ID:	304984
PubChem CID:	124766389
Reduced:	FN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	413.94015
ΔH_f, kcal/mol:	-202.95
Dipole, Da:	4.11
IP(EA), eV:	-9.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7R,8S,9R)-8,9-dibromo-4-(3-methylpyridin-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C)C

DOS

IR

Vibrations