Geometry & MOs

Info

ID:	203485
PubChem CID:	79837131
Reduced:	NF2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	258.081599
ΔH_f, kcal/mol:	-237.25
Dipole, Da:	7.54
IP(EA), eV:	-9.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-amino-1-oxopropan-2-yl)amino]-2,3-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC1=C(C(=C(C=C1)C(=O)O)F)F

DOS

IR

Vibrations