Geometry & MOs

Info

ID:	282408
PubChem CID:	103925820
Reduced:	BrFNO3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-136.33
Dipole, Da:	6.32
IP(EA), eV:	-10.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropylbut-2-enoylamino)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1CC1)(C(=O)O)NC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations