Geometry & MOs

Info

ID:	419912
PubChem CID:	135109698
Reduced:	ClON4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	346.16166
ΔH_f, kcal/mol:	-14.69
Dipole, Da:	5.75
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-[(1S,5S)-7-(1H-imidazol-5-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2CCCNC(=O)C2)Cl

DOS

IR

Vibrations