Geometry & MOs

Info

ID:	222227
PubChem CID:	85295382
Reduced:	BO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	242.070285
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	3.46
IP(EA), eV:	-9.22(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(4-fluoro-3-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

B1(OCC(CO1)(C)C)C=CC(=C)C2=CC=CC=C2

DOS

IR

Vibrations