Geometry & MOs

Info

ID:	302677
PubChem CID:	124391969
Reduced:	BrClN3O5H13C19 (1)
Stoich.:	ABC3D5E13F19 (1)
Weight, g/mol:	246.02554
ΔH_f, kcal/mol:	-137.58
Dipole, Da:	2.83
IP(EA), eV:	-9.59(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3Z)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)N)Cl)/C(=O)NC2=O)Br

DOS

IR

Vibrations