Geometry & MOs

Info

ID:	393150
PubChem CID:	135019563
Reduced:	ON2F6H14C17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-320.76
Dipole, Da:	1.87
IP(EA), eV:	-9.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-diene-14-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)NC1=CC=CC=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations