Geometry & MOs

Info

ID:	82980
PubChem CID:	49856926
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	60.84
Dipole, Da:	6.1
IP(EA), eV:	-8.97(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC4=CC=CC=C4C=C3)CN1C5=NC=C(C=N5)C(=O)NO

DOS

IR

Vibrations