Geometry & MOs

Info

ID:	293548
PubChem CID:	117392774
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	1.37
IP(EA), eV:	-8.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(CCN)C1=CC2=C(C=C1Cl)OC(O2)(C)C

DOS

IR

Vibrations