Geometry & MOs

Info

ID:	395650
PubChem CID:	135026092
Reduced:	NF3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	517.142482
ΔH_f, kcal/mol:	-274.14
Dipole, Da:	3.1
IP(EA), eV:	-9.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-14-(3,4-dimethoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-5,11(16),12,14-tetraene

Drug info:

PubChemData

Smile

COC1C(CCN1C(=O)OCC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations