Geometry & MOs

Info

ID:	294312
PubChem CID:	117452652
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-60.28
Dipole, Da:	4.65
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C2=CC(=C(C=C2)OC3COC3)Cl

DOS

IR

Vibrations