Geometry & MOs

Info

ID:	284396
PubChem CID:	104046433
Reduced:	NF2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-224.09
Dipole, Da:	4.76
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-(3-ethynylanilino)acetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NC2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations