Geometry & MOs

Info

ID:	294304
PubChem CID:	117452318
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	2.93
IP(EA), eV:	-8.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(piperidin-2-ylmethyl)-1,3-benzodioxole-4-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)OC)C2(CCCC2)N=C=O

DOS

IR

Vibrations