Geometry & MOs

Info

ID:	294610
PubChem CID:	117473731
Reduced:	BrClFO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	293.045486
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	4.19
IP(EA), eV:	-9.92(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-(1-isocyanatocyclopentyl)-1,3-benzodioxole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1CC1(C2=C(C=CC(=C2F)Cl)Br)C(=O)O

DOS

IR

Vibrations