Geometry & MOs

Info

ID:	205974
PubChem CID:	80185227
Reduced:	OF2N4H8C10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	285.11765
ΔH_f, kcal/mol:	-60.98
Dipole, Da:	5.49
IP(EA), eV:	-9.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(3,4-difluorophenyl)acetyl]-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)CC(=O)NC2=NC=NN2)F

DOS

IR

Vibrations