Geometry & MOs

Info

ID:	184235
PubChem CID:	77131114
Reduced:	N3O4C9H11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	238.072926
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	9.03
IP(EA), eV:	-10.0(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,2-diaminoethyl)-2-fluoro-3-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(CN)N)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations