Geometry & MOs

Info

ID:	37324
PubChem CID:	8019648
Reduced:	NCl2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	269.08635
ΔH_f, kcal/mol:	-127.76
Dipole, Da:	3.76
IP(EA), eV:	-9.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluoroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2CCC2)Cl

DOS

IR

Vibrations