Geometry & MOs

Info

ID:	292647
PubChem CID:	117356299
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	2.23
IP(EA), eV:	-8.78(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(hydroxyamino)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)OC)CC2(CC2)N

DOS

IR

Vibrations