Geometry & MOs

Info

ID:	293519
PubChem CID:	117392277
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-120.24
Dipole, Da:	7.97
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(aminomethyl)cyclopropyl]-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol

Drug info:

PubChemData

Smile

CC(CC=O)C1=C(C=CC(=C1NC(=O)C)O)Cl

DOS

IR

Vibrations