Geometry & MOs

Info

ID:	296441
PubChem CID:	117574498
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	212.096106
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	4.23
IP(EA), eV:	-8.43(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoroanilino)-2-(methylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NCC(C(=O)O)NC)C

DOS

IR

Vibrations