Geometry & MOs

Info

ID:	436562
PubChem CID:	135205433
Reduced:	ClON7H14C19 (1)
Stoich.:	ABC7D14E19 (1)
Weight, g/mol:	290.083348
ΔH_f, kcal/mol:	107.22
Dipole, Da:	3.29
IP(EA), eV:	-9.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(2-ethanimidoyl-4-fluorophenoxy)propyl]carbamic acid;hydrochloride

Drug info:

PubChemData

Smile

C1C(C2=C(N=C(N=C2N1)C3=CN4C=CN=C4C=N3)N)(C=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations