Geometry & MOs

Info

ID:	293400
PubChem CID:	117387110
Reduced:	ClO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-37.01
Dipole, Da:	3.47
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C2=C(N(N=C2)C)N)O)O)Cl

DOS

IR

Vibrations