Geometry & MOs

Info

ID:	294119
PubChem CID:	117427282
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	3.37
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3CNCCO3)Cl)OCCO2

DOS

IR

Vibrations