Geometry & MOs

Info

ID:	83083
PubChem CID:	49857125
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	409.136174
ΔH_f, kcal/mol:	75.64
Dipole, Da:	2.36
IP(EA), eV:	-9.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[(1S,5R)-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations