Geometry & MOs

Info

ID:	293047
PubChem CID:	117371953
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	247.041149
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	1.61
IP(EA), eV:	-8.71(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(C)C)O)CC2CCCNC2

DOS

IR

Vibrations