Geometry & MOs

Info

ID:	216530
PubChem CID:	85086375
Reduced:	F3O3N4C9H9 (1)
Stoich.:	A3B3C4D9E9 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-177.93
Dipole, Da:	4.84
IP(EA), eV:	-8.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=O)C(=CNN=C(N)NO)C=C1OC(F)(F)F

DOS

IR

Vibrations