Geometry & MOs

Info

ID:	273056
PubChem CID:	103770404
Reduced:	BrF2N2O2C9H9 (1)
Stoich.:	AB2C2D2E9F9 (1)
Weight, g/mol:	245.122735
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	4.13
IP(EA), eV:	-10.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)NCC(C(F)F)O)Br

DOS

IR

Vibrations