Geometry & MOs

Info

ID:	292649
PubChem CID:	117356361
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	1.9
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-4H-1,3-benzodioxin-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(=C)COC1=CC=CC(=C1Cl)CNOC

DOS

IR

Vibrations