Geometry & MOs

Info

ID:	56137
PubChem CID:	17422159
Reduced:	FN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	2.17
IP(EA), eV:	-9.08(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C=CC(=O)NC2=O)F

DOS

IR

Vibrations