Geometry & MOs

Info

ID:	83534
PubChem CID:	49857713
Reduced:	ClNC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	587.10063
ΔH_f, kcal/mol:	-1.0
Dipole, Da:	4.21
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5S)-6-[(4-chlorophenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC=C(C=C3)Cl)CN1.Cl

DOS

IR

Vibrations