Geometry & MOs

Info

ID:	293547
PubChem CID:	117392773
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-84.92
Dipole, Da:	2.41
IP(EA), eV:	-8.75(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations