Geometry & MOs

Info

ID:	177603
PubChem CID:	76203822
Reduced:	FNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	323.01571
ΔH_f, kcal/mol:	-113.79
Dipole, Da:	3.91
IP(EA), eV:	-10.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)prop-2-enoyl-cyclopropylamino]acetic acid

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)O)C(=O)C=CC2=CC=CC=C2F

DOS

IR

Vibrations