Geometry & MOs

Info

ID:	83226
PubChem CID:	49857312
Reduced:	SiO2C23H44 (1)
Stoich.:	AB2C23D44 (1)
Weight, g/mol:	461.128644
ΔH_f, kcal/mol:	-216.03
Dipole, Da:	3.1
IP(EA), eV:	-8.77(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C

DOS

IR

Vibrations