Geometry & MOs

Info

ID:	187131
PubChem CID:	77534553
Reduced:	FN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	353.058549
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	2.05
IP(EA), eV:	-8.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dichlorophenyl)-1-(3-oxobut-1-enyl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2(C3=C(C=CC(=C3)NC4=CC=CC=C4)NC2=O)OC1CCF

DOS

IR

Vibrations