Geometry & MOs

Info

ID:	394973
PubChem CID:	135024334
Reduced:	IOF3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-118.54
Dipole, Da:	5.58
IP(EA), eV:	-9.46(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-O-tert-butyl 4-O-methyl 3,14-dimethyl-3,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),8(15),9,11-tetraene-4,13-dicarboxylate

Drug info:

PubChemData

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CC(C)(C#C/C=C(/C(F)(F)F)\I)OCC1=CC=CC=C1

DOS

IR

Vibrations