Geometry & MOs

Info

ID:	83227
PubChem CID:	49857313
Reduced:	O2N5F6H17C19 (1)
Stoich.:	A2B5C6D17E19 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-280.66
Dipole, Da:	2.14
IP(EA), eV:	-9.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations