Geometry & MOs

Info

ID:	292202
PubChem CID:	114468582
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	285.11765
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	4.07
IP(EA), eV:	-9.12(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-difluoro-4-[2-(2-methylprop-2-enoxy)ethylamino]benzoate

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)COCC2CNCCO2)C

DOS

IR

Vibrations