Geometry & MOs

Info

ID:	294305
PubChem CID:	117452360
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-90.76
Dipole, Da:	4.3
IP(EA), eV:	-9.08(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=CC(=C(C3=C2OCO3)C=O)Cl

DOS

IR

Vibrations