Geometry & MOs

Info

ID:	294117
PubChem CID:	117427247
Reduced:	ClFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	3.57
IP(EA), eV:	-9.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopropan-1-amine

Drug info:

PubChemData

Smile

COCC1=C(C(=CC(=C1)Cl)C2(CCC2)N=C=O)F

DOS

IR

Vibrations