Geometry & MOs

Info

ID:	83081
PubChem CID:	49857123
Reduced:	O2F3N5C18H18 (1)
Stoich.:	A2B3C5D18E18 (1)
Weight, g/mol:	361.135031
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	3.72
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-6-[(3,5-difluorophenyl)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=C(C=C3)C(F)(F)F)CN1C4=NC=C(C=N4)C(=O)NO

DOS

IR

Vibrations