Geometry & MOs

Info

ID:	83228
PubChem CID:	49857314
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	34.26
Dipole, Da:	5.83
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[(1S,5R)-6-[(4-phenylphenyl)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)OC4=CC=CC=C4)CN1C5=NC=C(C=N5)C(=O)NO

DOS

IR

Vibrations