Geometry & MOs

Info

ID:	340891
PubChem CID:	127263326
Reduced:	BrFC10H10 (1)
Stoich.:	ABC10D10 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	1.79
IP(EA), eV:	-9.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (15R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,18-tetraene-17-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=C(C=CC(=C2)CBr)F

DOS

IR

Vibrations