Geometry & MOs

Info

ID:	261389
PubChem CID:	103230247
Reduced:	ClNF3O3C11H11 (1)
Stoich.:	ABC3D3E11F11 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-283.52
Dipole, Da:	2.45
IP(EA), eV:	-9.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(cyclopropylamino)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)NCC(CC(=O)O)O)C(F)(F)F

DOS

IR

Vibrations