Geometry & MOs

Info

ID:	182566
PubChem CID:	76907809
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	359.01685
ΔH_f, kcal/mol:	-126.59
Dipole, Da:	8.76
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-bromo-2-fluorophenyl)prop-2-enoyl-(2-methoxyethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=CC(=C(C=C1)C=CC(=O)O)C

DOS

IR

Vibrations