Geometry & MOs

Info

ID:	83082
PubChem CID:	49857124
Reduced:	F2O2N5C17H17 (1)
Stoich.:	A2B2C5D17E17 (1)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	3.67
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC(=CC(=C3)F)F)CN1C4=NC=C(C=N4)C(=O)NO

DOS

IR

Vibrations