Geometry & MOs

Info

ID:	341315
PubChem CID:	127264008
Reduced:	ON3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	245.041898
ΔH_f, kcal/mol:	15.57
Dipole, Da:	2.12
IP(EA), eV:	-9.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1OC2=NC=NC(=C2)N

DOS

IR

Vibrations