Geometry & MOs

Info

ID:	341316
PubChem CID:	127264009
Reduced:	ClNOF2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	247.057548
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	1.39
IP(EA), eV:	-9.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(2,5-difluorophenyl)pent-4-en-1-one;hydrochloride

Drug info:

PubChemData

Smile

C#CCC(C(=O)C1=C(C=CC(=C1)F)F)N.Cl

DOS

IR

Vibrations