Geometry & MOs

Info

ID:	392913
PubChem CID:	135018431
Reduced:	BrO5H25C28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	323.113313
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	2.81
IP(EA), eV:	-9.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-8-phenyl-4-(trifluoromethyl)-3-azabicyclo[4.2.0]octa-1(8),5-diene-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2(C3=CC=CC=C3C1(O2)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C(=O)OCC

DOS

IR

Vibrations