Geometry & MOs

Info

ID:	294307
PubChem CID:	117452544
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-82.24
Dipole, Da:	2.2
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1CC3CCCCN3)Cl)OCCO2

DOS

IR

Vibrations