Geometry & MOs

Info

ID:	184233
PubChem CID:	77130876
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	204.046569
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	3.11
IP(EA), eV:	-8.11(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(1,2-diaminoethyl)-6-fluorophenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(CN)N)OC)OC

DOS

IR

Vibrations