Geometry & MOs

Info

ID:	199585
PubChem CID:	79268534
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	287.108835
ΔH_f, kcal/mol:	-55.93
Dipole, Da:	7.16
IP(EA), eV:	-9.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-[1-(2-chloro-4-fluorophenyl)ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)N(CC(=O)O)C(C)(C)C

DOS

IR

Vibrations