Geometry & MOs

Info

ID:	131771
PubChem CID:	51260264
Reduced:	O2F3N3C14H16 (1)
Stoich.:	A2B3C3D14E16 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-209.9
Dipole, Da:	5.23
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=CC=C2NCC(=O)NCC(F)(F)F

DOS

IR

Vibrations