Geometry & MOs

Info

ID:	252597
PubChem CID:	103112554
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	3.44
IP(EA), eV:	-10.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=CC=C2F)C(=O)OC(C)(C)C

DOS

IR

Vibrations