Geometry & MOs

Info

ID:

83080

PubChem CID:

49857122

Reduced:

SiO3C30H50 (1)

Stoich.:

AB3C30D50 (1)

Weight, g/mol:

393.141259

ΔHf, kcal/mol:

-238.22

Dipole, Da:

1.28

IP(EA), eV:

 -8.72(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-hydroxy-2-[(1R,5S)-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-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(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations