Geometry & MOs

Info

ID:	373865
PubChem CID:	131320762
Reduced:	ClOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	176.058578
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	4.81
IP(EA), eV:	-9.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-methyl-1,3-benzodioxole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCCl)CCl)O

DOS

IR

Vibrations