Geometry & MOs

Info

ID:	434618
PubChem CID:	135175356
Reduced:	BrNOF2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	487.12821
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	3.07
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3-(4-bromophenyl)-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1[C@@H](NC(O1)C(C2=CC=C(C=C2)Br)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations