Geometry & MOs

Info

ID:	82981
PubChem CID:	49856928
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	37.31
Dipole, Da:	6.28
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCCC3=CC=CC=C3)CN1C4=NC=C(C=N4)C(=O)NO

DOS

IR

Vibrations