Geometry & MOs

Info

ID:	293995
PubChem CID:	117421433
Reduced:	SN3O3C11H13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	2.9
IP(EA), eV:	-8.7(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)S(=O)(=O)C)C2=CC(=NN2)N

DOS

IR

Vibrations