Geometry & MOs

Info

ID:	292650
PubChem CID:	117356381
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	2.0
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(CCN)C1=C(C=CC2=C1COCO2)Cl

DOS

IR

Vibrations