Geometry & MOs

Info

ID:	293546
PubChem CID:	117392754
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-36.18
Dipole, Da:	1.82
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCC2CC2)CNOC

DOS

IR

Vibrations